9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine

C38H36N2 — CID 118180118

IUPAC9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
SMILESc1ccc(N(c2ccccc2)c2c3c(c(N(c4ccccc4)c4ccccc4)c4c2CCCC4)CCCC3)cc1
InChIInChI=1S/C38H36N2/c1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-12,17-24H,13-16,25-28H2
InChIKeyPHEQMYJVTBXAOT-UHFFFAOYSA-N
MW520.72 g/mol
LogP10.38
Rot. Bonds6

About 9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine

9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine (PubChem CID 118180118) has the molecular formula C38H36N2 and a molecular weight of 520.72 g/mol. Its IUPAC name is 9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
PubChem CID118180118
Molecular FormulaC38H36N2
Molecular Weight520.72 g/mol
Exact Mass520.29
IUPAC Name9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
SMILESc1ccc(N(c2ccccc2)c2c3c(c(N(c4ccccc4)c4ccccc4)c4c2CCCC4)CCCC3)cc1
InChIInChI=1S/C38H36N2/c1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-12,17-24H,13-16,25-28H2
InChIKeyPHEQMYJVTBXAOT-UHFFFAOYSA-N
XLogP10.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.72
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}

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Related Compounds

9-N,10-N-diphenyl-9-N,10-N-di(triphenylen-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine
CID 118180150
1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine
CID 118180101
N,N-bis(4-phenylphenyl)-10-pyren-2-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine
CID 118178040
4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline
CID 118178056
2,4,6-trifluoro-1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine
CID 89180659
5-N,5-N,11-N,11-N,13-N,13-N,15-N,15-N-octakis-phenyltricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene-5,11,13,15-tetramine
CID 20767384
N,N-diphenylaniline;silane
CID 131739129
acetylene;N,N-diphenylaniline
CID 162160270
N,N-diphenylaniline;ethene
CID 135186601
azane;N,N-diphenylaniline;methane
CID 174725062
N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90058045
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine?
The IUPAC name of 9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine (CID 118180118) is 9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine.
What is the SMILES notation for 9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine?
The canonical SMILES for 9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine is c1ccc(N(c2ccccc2)c2c3c(c(N(c4ccccc4)c4ccccc4)c4c2CCCC4)CCCC3)cc1.
What is the InChIKey of 9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine?
The InChIKey is PHEQMYJVTBXAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2/c1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-12,17-24H,13-16,25-28H2.
What are the key properties of 9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine?
9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine has a molecular weight of 520.72 g/mol, XLogP of 10.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,10-N,10-N-tetraphenyl-1,2,3,4,5,6,7,8-octahydroanthracene-9,10-diamine is sourced from PubChem (CID 118180118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).