N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine

C40H26N2 — CID 129208294

IUPACN-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)c2c(n3-c3ccccc3)-c3cccc4cccc-2c34)cc1
InChIInChI=1S/C40H26N2/c1-3-15-30(16-4-1)41(32-22-21-27-11-7-8-12-29(27)25-32)33-23-24-37-36(26-33)39-34-19-9-13-28-14-10-20-35(38(28)34)40(39)42(37)31-17-5-2-6-18-31/h1-26H
InChIKeyVTKUXYMNBRWEHE-UHFFFAOYSA-N
MW534.66 g/mol
LogP11.05
Rot. Bonds4

About N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine

N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine (PubChem CID 129208294) has the molecular formula C40H26N2 and a molecular weight of 534.66 g/mol. Its IUPAC name is N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine
PubChem CID129208294
Molecular FormulaC40H26N2
Molecular Weight534.66 g/mol
Exact Mass534.21
IUPAC NameN-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)c2c(n3-c3ccccc3)-c3cccc4cccc-2c34)cc1
InChIInChI=1S/C40H26N2/c1-3-15-30(16-4-1)41(32-22-21-27-11-7-8-12-29(27)25-32)33-23-24-37-36(26-33)39-34-19-9-13-28-14-10-20-35(38(28)34)40(39)42(37)31-17-5-2-6-18-31/h1-26H
InChIKeyVTKUXYMNBRWEHE-UHFFFAOYSA-N
XLogP11.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine with MolForge

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Related Compounds

1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
CID 169016163
N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine
CID 129208279
3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline
CID 170380197
4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine
CID 59720447
N-naphthalen-2-yl-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine
CID 59720564
N-naphthalen-2-yl-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-3-amine
CID 167357254
N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412375
N-[4-(8-naphthalen-2-yl-3-phenylquinoxalin-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 59259961
N-(4-bromophenyl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 118632291
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-naphthalen-2-yl-N-[4-[1-phenyl-2,3-bis(4-phenylphenyl)indol-6-yl]phenyl]naphthalen-2-amine
CID 118459327

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine?
The IUPAC name of N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine (CID 129208294) is N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine.
What is the SMILES notation for N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine?
The canonical SMILES for N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine is c1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)c2c(n3-c3ccccc3)-c3cccc4cccc-2c34)cc1.
What is the InChIKey of N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine?
The InChIKey is VTKUXYMNBRWEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2/c1-3-15-30(16-4-1)41(32-22-21-27-11-7-8-12-29(27)25-32)33-23-24-37-36(26-33)39-34-19-9-13-28-14-10-20-35(38(28)34)40(39)42(37)31-17-5-2-6-18-31/h1-26H.
What are the key properties of N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine?
N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine has a molecular weight of 534.66 g/mol, XLogP of 11.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine is sourced from PubChem (CID 129208294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).