9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine

C163H112N4 — CID 160791798

IUPAC9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C57H40N2.C40H28N2.C34H22.C32H22/c1-7-21-41(22-8-1)57(42-23-9-2-10-24-42)54-40-48(59(45-29-15-5-16-30-45)46-31-17-6-18-32-46)36-38-52(54)55-50-34-20-19-33-49(50)53-39-47(35-37-51(53)56(55)57)58(43-25-11-3-12-26-43)44-27-13-4-14-28-44;1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)37-27-23-29-22-26-36-38(28-24-30-21-25-35(37)39(29)40(30)36)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34;1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28;1-3-11-23(12-4-1)24-19-21-26(22-20-24)32-29-17-9-7-15-27(29)31(25-13-5-2-6-14-25)28-16-8-10-18-30(28)32/h1-40H;1-28H;1-22H;1-22H
InChIKeySBXPFRITWHFWLB-UHFFFAOYSA-N
MW2126.72 g/mol
LogP45.45
Rot. Bonds19

About 9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine

9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine (PubChem CID 160791798) has the molecular formula C163H112N4 and a molecular weight of 2126.72 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine.

Molecular Properties

Compound Name9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
PubChem CID160791798
Molecular FormulaC163H112N4
Molecular Weight2126.72 g/mol
Exact Mass2124.89
IUPAC Name9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C57H40N2.C40H28N2.C34H22.C32H22/c1-7-21-41(22-8-1)57(42-23-9-2-10-24-42)54-40-48(59(45-29-15-5-16-30-45)46-31-17-6-18-32-46)36-38-52(54)55-50-34-20-19-33-49(50)53-39-47(35-37-51(53)56(55)57)58(43-25-11-3-12-26-43)44-27-13-4-14-28-44;1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)37-27-23-29-22-26-36-38(28-24-30-21-25-35(37)39(29)40(30)36)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34;1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28;1-3-11-23(12-4-1)24-19-21-26(22-20-24)32-29-17-9-7-15-27(29)31(25-13-5-2-6-14-25)28-16-8-10-18-30(28)32/h1-40H;1-28H;1-22H;1-22H
InChIKeySBXPFRITWHFWLB-UHFFFAOYSA-N
XLogP45.45
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002126.72
LogP ≤ 545.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine with MolForge

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Related Compounds

5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 88594439
5-N,20-N-bis(2,5-diphenylphenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 121430958
5-N,18-N-bis(4-methylphenyl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 88594459
5-N,20-N-bis(4-fluorophenyl)-5-N,20-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,20-diamine
CID 121430962
25,25-diphenyl-20-[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725639
5,9,9-triphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 177098577
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
21,21-dimethyl-18-N,18-N-dinaphthalen-1-yl-5-N,5-N-dinaphthalen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;21,21-dimethyl-5-N,5-N-dinaphthalen-1-yl-18-N-naphthalen-2-yl-18-N-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;bis(21,21-dimethyl-5-N-naphthalen-1-yl-5-N,18-N-dinaphthalen-2-yl-18-N-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine);21,21-dimethyl-18-N-naphthalen-1-yl-5-N,5-N-dinaphthalen-2-yl-18-N-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;21,21-dimethyl-18-N-naphthalen-1-yl-5-N,5-N,18-N-trinaphthalen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;21,21-dimethyl-5-N,5-N,18-N,18-N-tetranaphthalen-1-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;21,21-dimethyl-5-N,5-N,18-N,18-N-tetranaphthalen-2-ylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 159274799
5-benzhydryl-7,7-dimethyl-N,N-diphenylbenzo[g]fluoren-9-amine;5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 165095999
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162

Frequently Asked Questions

What is the IUPAC name of 9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine?
The IUPAC name of 9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine (CID 160791798) is 9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine.
What is the SMILES notation for 9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine?
The canonical SMILES for 9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine?
The InChIKey is SBXPFRITWHFWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2.C40H28N2.C34H22.C32H22/c1-7-21-41(22-8-1)57(42-23-9-2-10-24-42)54-40-48(59(45-29-15-5-16-30-45)46-31-17-6-18-32-46)36-38-52(54)55-50-34-20-19-33-49(50)53-39-47(35-37-51(53)56(55)57)58(43-25-11-3-12-26-43)44-27-13-4-14-28-44;1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)37-27-23-29-22-26-36-38(28-24-30-21-25-35(37)39(29)40(30)36)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34;1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28;1-3-11-23(12-4-1)24-19-21-26(22-20-24)32-29-17-9-7-15-27(29)31(25-13-5-2-6-14-25)28-16-8-10-18-30(28)32/h1-40H;1-28H;1-22H;1-22H.
What are the key properties of 9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine?
9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine has a molecular weight of 2126.72 g/mol, XLogP of 45.45, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dinaphthalen-2-ylanthracene;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;9-phenyl-10-(4-phenylphenyl)anthracene;1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine is sourced from PubChem (CID 160791798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).