5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine

C76H54N2S2 — CID 59182358

IUPAC5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)Sc4cccc6c4c-5cc4sc5cc(N(c7ccccc7)c7ccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7)ccc5c46)cc3)cc21
InChIInChI=1S/C76H54N2S2/c1-75(2)65-23-13-11-20-57(65)59-38-30-49(42-67(59)75)47-26-32-53(33-27-47)77(51-16-7-5-8-17-51)55-36-40-61-64-46-72-73(63-22-15-25-69(74(63)64)79-70(61)44-55)62-41-37-56(45-71(62)80-72)78(52-18-9-6-10-19-52)54-34-28-48(29-35-54)50-31-39-60-58-21-12-14-24-66(58)76(3,4)68(60)43-50/h5-46H,1-4H3
InChIKeyMPEMQFDIPNSTGH-UHFFFAOYSA-N
MW1059.42 g/mol
LogP22.23
Rot. Bonds8

About 5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine

5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine (PubChem CID 59182358) has the molecular formula C76H54N2S2 and a molecular weight of 1059.42 g/mol. Its IUPAC name is 5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine.

Molecular Properties

Compound Name5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
PubChem CID59182358
Molecular FormulaC76H54N2S2
Molecular Weight1059.42 g/mol
Exact Mass1058.37
IUPAC Name5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)Sc4cccc6c4c-5cc4sc5cc(N(c7ccccc7)c7ccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7)ccc5c46)cc3)cc21
InChIInChI=1S/C76H54N2S2/c1-75(2)65-23-13-11-20-57(65)59-38-30-49(42-67(59)75)47-26-32-53(33-27-47)77(51-16-7-5-8-17-51)55-36-40-61-64-46-72-73(63-22-15-25-69(74(63)64)79-70(61)44-55)62-41-37-56(45-71(62)80-72)78(52-18-9-6-10-19-52)54-34-28-48(29-35-54)50-31-39-60-58-21-12-14-24-66(58)76(3,4)68(60)43-50/h5-46H,1-4H3
InChIKeyMPEMQFDIPNSTGH-UHFFFAOYSA-N
XLogP22.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.42
LogP ≤ 522.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine with MolForge

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Related Compounds

5,18-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
CID 59182450
5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-N,18-N-diphenyl-18-N-(4-phenylphenyl)-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine
CID 70923436
5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-diphenyl-8-thiapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 121295976
5,18-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;5,18-bis(2-phenylnaphthalen-1-yl)-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;5,18-bis(3-phenylnaphthalen-2-yl)-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene;18-naphthalen-2-yl-5-phenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
CID 159358837
N-[3-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine
CID 176630470
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzothiophen-3-amine
CID 142480678
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 70808776
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323779
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548
N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-(3-phenylphenyl)-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 157396609
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507

Frequently Asked Questions

What is the IUPAC name of 5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?
The IUPAC name of 5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine (CID 59182358) is 5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine.
What is the SMILES notation for 5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?
The canonical SMILES for 5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)Sc4cccc6c4c-5cc4sc5cc(N(c7ccccc7)c7ccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7)ccc5c46)cc3)cc21.
What is the InChIKey of 5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?
The InChIKey is MPEMQFDIPNSTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54N2S2/c1-75(2)65-23-13-11-20-57(65)59-38-30-49(42-67(59)75)47-26-32-53(33-27-47)77(51-16-7-5-8-17-51)55-36-40-61-64-46-72-73(63-22-15-25-69(74(63)64)79-70(61)44-55)62-41-37-56(45-71(62)80-72)78(52-18-9-6-10-19-52)54-34-28-48(29-35-54)50-31-39-60-58-21-12-14-24-66(58)76(3,4)68(60)43-50/h5-46H,1-4H3.
What are the key properties of 5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine?
5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine has a molecular weight of 1059.42 g/mol, XLogP of 22.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,18-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-N,18-N-diphenyl-8,21-dithiahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene-5,18-diamine is sourced from PubChem (CID 59182358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).