5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine

C176H126F2N4 — CID 160832651

IUPAC5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(ccc5c6ccc(N(c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6c6ccccc6c45)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(ccc5c6ccc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7cc(-c8ccccc8)cc(-c8ccccc8)c7F)cc6c6ccccc6c45)c3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3F)cc21
InChIInChI=1S/C88H62F2N2.C88H64N2/c1-87(2)78-35-21-19-32-69(78)71-45-40-64(53-80(71)87)91(82-50-60(55-23-9-5-10-24-55)48-75(85(82)89)57-27-13-7-14-28-57)62-38-43-66-59(47-62)37-42-74-68-44-39-63(52-77(68)67-31-17-18-34-73(67)84(66)74)92(65-41-46-72-70-33-20-22-36-79(70)88(3,4)81(72)54-65)83-51-61(56-25-11-6-12-26-56)49-76(86(83)90)58-29-15-8-16-30-58;1-87(2)82-35-21-19-32-75(82)77-45-40-68(55-84(77)87)89(70-50-62(57-23-9-5-10-24-57)47-63(51-70)58-25-11-6-12-26-58)66-38-43-72-61(49-66)37-42-80-74-44-39-67(54-81(74)73-31-17-18-34-79(73)86(72)80)90(69-41-46-78-76-33-20-22-36-83(76)88(3,4)85(78)56-69)71-52-64(59-27-13-7-14-28-59)48-65(53-71)60-29-15-8-16-30-60/h5-54H,1-4H3;5-56H,1-4H3
InChIKeySGZRQGRBKGEFDU-UHFFFAOYSA-N
MW2334.97 g/mol
LogP49.32
Rot. Bonds20

About 5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine

5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine (PubChem CID 160832651) has the molecular formula C176H126F2N4 and a molecular weight of 2334.97 g/mol. Its IUPAC name is 5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine.

Molecular Properties

Compound Name5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
PubChem CID160832651
Molecular FormulaC176H126F2N4
Molecular Weight2334.97 g/mol
Exact Mass2333.00
IUPAC Name5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(ccc5c6ccc(N(c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6c6ccccc6c45)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(ccc5c6ccc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7cc(-c8ccccc8)cc(-c8ccccc8)c7F)cc6c6ccccc6c45)c3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3F)cc21
InChIInChI=1S/C88H62F2N2.C88H64N2/c1-87(2)78-35-21-19-32-69(78)71-45-40-64(53-80(71)87)91(82-50-60(55-23-9-5-10-24-55)48-75(85(82)89)57-27-13-7-14-28-57)62-38-43-66-59(47-62)37-42-74-68-44-39-63(52-77(68)67-31-17-18-34-73(67)84(66)74)92(65-41-46-72-70-33-20-22-36-79(70)88(3,4)81(72)54-65)83-51-61(56-25-11-6-12-26-56)49-76(86(83)90)58-29-15-8-16-30-58;1-87(2)82-35-21-19-32-75(82)77-45-40-68(55-84(77)87)89(70-50-62(57-23-9-5-10-24-57)47-63(51-70)58-25-11-6-12-26-58)66-38-43-72-61(49-66)37-42-80-74-44-39-67(54-81(74)73-31-17-18-34-79(73)86(72)80)90(69-41-46-78-76-33-20-22-36-83(76)88(3,4)85(78)56-69)71-52-64(59-27-13-7-14-28-59)48-65(53-71)60-29-15-8-16-30-60/h5-54H,1-4H3;5-56H,1-4H3
InChIKeySGZRQGRBKGEFDU-UHFFFAOYSA-N
XLogP49.32
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002334.97
LogP ≤ 549.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine with MolForge

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Related Compounds

5-N,16-N-bis(2-fluoro-3,5-diphenylphenyl)-8,8-dimethyl-20-phenyl-5-N,16-N-bis(4-phenylphenyl)pentacyclo[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 118633690
5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 121476605
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
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N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167184258
N-(4-benzo[c]phenanthren-6-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167184350
N,N-bis(4-phenanthren-2-ylphenyl)triphenylen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 163978822
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
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N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylnaphthalen-2-yl)fluoren-2-amine
CID 138623042
N-(4-chrysen-5-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140151
N,N-bis(9,9-dimethylfluoren-2-yl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308231
N-[4-[4-(N-(3,5-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59861267
9,9-dimethyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139355272

Frequently Asked Questions

What is the IUPAC name of 5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?
The IUPAC name of 5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine (CID 160832651) is 5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine.
What is the SMILES notation for 5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?
The canonical SMILES for 5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(ccc5c6ccc(N(c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6c6ccccc6c45)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(ccc5c6ccc(N(c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7cc(-c8ccccc8)cc(-c8ccccc8)c7F)cc6c6ccccc6c45)c3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3F)cc21.
What is the InChIKey of 5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?
The InChIKey is SGZRQGRBKGEFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H62F2N2.C88H64N2/c1-87(2)78-35-21-19-32-69(78)71-45-40-64(53-80(71)87)91(82-50-60(55-23-9-5-10-24-55)48-75(85(82)89)57-27-13-7-14-28-57)62-38-43-66-59(47-62)37-42-74-68-44-39-63(52-77(68)67-31-17-18-34-73(67)84(66)74)92(65-41-46-72-70-33-20-22-36-79(70)88(3,4)81(72)54-65)83-51-61(56-25-11-6-12-26-56)49-76(86(83)90)58-29-15-8-16-30-58;1-87(2)82-35-21-19-32-75(82)77-45-40-68(55-84(77)87)89(70-50-62(57-23-9-5-10-24-57)47-63(51-70)58-25-11-6-12-26-58)66-38-43-72-61(49-66)37-42-80-74-44-39-67(54-81(74)73-31-17-18-34-79(73)86(72)80)90(69-41-46-78-76-33-20-22-36-83(76)88(3,4)85(78)56-69)71-52-64(59-27-13-7-14-28-59)48-65(53-71)60-29-15-8-16-30-60/h5-54H,1-4H3;5-56H,1-4H3.
What are the key properties of 5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?
5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine has a molecular weight of 2334.97 g/mol, XLogP of 49.32, 20 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(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-bis(2-fluoro-3,5-diphenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine is sourced from PubChem (CID 160832651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).