N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene

C231H142N6S4 — CID 158968863

IUPACN,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cccc5c6ccccc6c6cccc7sc8cccc(c8c76)n4c53)cc21.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc6sc7cccc(c7c65)n3c42)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc6sc7cccc(c7c65)n3c42)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cccc5c6ccccc6c6cccc7sc8cccc(c8c76)n4c53)cc2)cc1
InChIInChI=1S/2C60H35NS.C57H38N2S.C54H34N2S/c1-2-18-40-36(14-1)15-10-25-43(40)57-47-23-7-5-21-45(47)56(46-22-6-8-24-48(46)57)39-17-9-16-37(34-39)38-32-33-52-51(35-38)50-28-11-27-49-42-20-4-3-19-41(42)44-26-12-30-54-58(44)59-53(61(52)60(49)50)29-13-31-55(59)62-54;1-2-14-37-33-41(30-29-36(37)13-1)57-47-21-7-5-19-45(47)56(46-20-6-8-22-48(46)57)40-16-9-15-38(34-40)39-31-32-52-51(35-39)50-25-10-24-49-43-18-4-3-17-42(43)44-23-11-27-54-58(44)59-53(61(52)60(49)50)26-12-28-55(59)62-54;1-57(2)48-21-9-8-17-42(48)43-31-29-39(34-49(43)57)58(37-27-25-36(26-28-37)35-13-4-3-5-14-35)38-30-32-50-47(33-38)46-20-10-19-45-41-16-7-6-15-40(41)44-18-11-23-52-54(44)55-51(59(50)56(45)46)22-12-24-53(55)60-52;1-3-12-35(13-4-1)37-24-28-39(29-25-37)55(40-30-26-38(27-31-40)36-14-5-2-6-15-36)41-32-33-48-47(34-41)46-20-9-19-45-43-17-8-7-16-42(43)44-18-10-22-50-52(44)53-49(56(48)54(45)46)21-11-23-51(53)57-50/h2*1-35H;3-34H,1-2H3;1-34H
InChIKeyJNNYMUQPHTXPHP-UHFFFAOYSA-N
MW3129.99 g/mol
LogP66.85
Rot. Bonds15

About N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene

N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene (PubChem CID 158968863) has the molecular formula C231H142N6S4 and a molecular weight of 3129.99 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene
PubChem CID158968863
Molecular FormulaC231H142N6S4
Molecular Weight3129.99 g/mol
Exact Mass3127.02
IUPAC NameN,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cccc5c6ccccc6c6cccc7sc8cccc(c8c76)n4c53)cc21.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc6sc7cccc(c7c65)n3c42)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc6sc7cccc(c7c65)n3c42)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cccc5c6ccccc6c6cccc7sc8cccc(c8c76)n4c53)cc2)cc1
InChIInChI=1S/2C60H35NS.C57H38N2S.C54H34N2S/c1-2-18-40-36(14-1)15-10-25-43(40)57-47-23-7-5-21-45(47)56(46-22-6-8-24-48(46)57)39-17-9-16-37(34-39)38-32-33-52-51(35-38)50-28-11-27-49-42-20-4-3-19-41(42)44-26-12-30-54-58(44)59-53(61(52)60(49)50)29-13-31-55(59)62-54;1-2-14-37-33-41(30-29-36(37)13-1)57-47-21-7-5-19-45(47)56(46-20-6-8-22-48(46)57)40-16-9-15-38(34-40)39-31-32-52-51(35-39)50-25-10-24-49-43-18-4-3-17-42(43)44-23-11-27-54-58(44)59-53(61(52)60(49)50)26-12-28-55(59)62-54;1-57(2)48-21-9-8-17-42(48)43-31-29-39(34-49(43)57)58(37-27-25-36(26-28-37)35-13-4-3-5-14-35)38-30-32-50-47(33-38)46-20-10-19-45-41-16-7-6-15-40(41)44-18-11-23-52-54(44)55-51(59(50)56(45)46)22-12-24-53(55)60-52;1-3-12-35(13-4-1)37-24-28-39(29-25-37)55(40-30-26-38(27-31-40)36-14-5-2-6-15-36)41-32-33-48-47(34-41)46-20-9-19-45-43-17-8-7-16-42(43)44-18-10-22-50-52(44)53-49(56(48)54(45)46)21-11-23-51(53)57-50/h2*1-35H;3-34H,1-2H3;1-34H
InChIKeyJNNYMUQPHTXPHP-UHFFFAOYSA-N
XLogP66.85
TPSA24.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms241
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003129.99
LogP ≤ 566.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene?
The IUPAC name of N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene (CID 158968863) is N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene?
The canonical SMILES for N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cccc5c6ccccc6c6cccc7sc8cccc(c8c76)n4c53)cc21.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc6sc7cccc(c7c65)n3c42)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3c(c2)c2cccc4c5ccccc5c5cccc6sc7cccc(c7c65)n3c42)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cccc5c6ccccc6c6cccc7sc8cccc(c8c76)n4c53)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene?
The InChIKey is JNNYMUQPHTXPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H35NS.C57H38N2S.C54H34N2S/c1-2-18-40-36(14-1)15-10-25-43(40)57-47-23-7-5-21-45(47)56(46-22-6-8-24-48(46)57)39-17-9-16-37(34-39)38-32-33-52-51(35-38)50-28-11-27-49-42-20-4-3-19-41(42)44-26-12-30-54-58(44)59-53(61(52)60(49)50)29-13-31-55(59)62-54;1-2-14-37-33-41(30-29-36(37)13-1)57-47-21-7-5-19-45(47)56(46-20-6-8-22-48(46)57)40-16-9-15-38(34-40)39-31-32-52-51(35-39)50-25-10-24-49-43-18-4-3-17-42(43)44-23-11-27-54-58(44)59-53(61(52)60(49)50)26-12-28-55(59)62-54;1-57(2)48-21-9-8-17-42(48)43-31-29-39(34-49(43)57)58(37-27-25-36(26-28-37)35-13-4-3-5-14-35)38-30-32-50-47(33-38)46-20-10-19-45-41-16-7-6-15-40(41)44-18-11-23-52-54(44)55-51(59(50)56(45)46)22-12-24-53(55)60-52;1-3-12-35(13-4-1)37-24-28-39(29-25-37)55(40-30-26-38(27-31-40)36-14-5-2-6-15-36)41-32-33-48-47(34-41)46-20-9-19-45-43-17-8-7-16-42(43)44-18-10-22-50-52(44)53-49(56(48)54(45)46)21-11-23-51(53)57-50/h2*1-35H;3-34H,1-2H3;1-34H.
What are the key properties of N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene?
N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene has a molecular weight of 3129.99 g/mol, XLogP of 66.85, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaen-27-amine;27-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene;27-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene is sourced from PubChem (CID 158968863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).