N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine

C48H36N2 — CID 170278089

IUPACN,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine
SMILESC1=CC2C(C=C1c1ccc(-c3ccc(-c4ccccc4)cc3)cc1)c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccccc1
InChIInChI=1S/C48H36N2/c1-5-13-35(14-6-1)36-21-23-37(24-22-36)38-25-27-39(28-26-38)40-29-32-47-46(33-40)45-31-30-44(34-48(45)50(47)43-19-11-4-12-20-43)49(41-15-7-2-8-16-41)42-17-9-3-10-18-42/h1-34,46-47H
InChIKeyNCDTULVCOFANOK-UHFFFAOYSA-N
MW640.83 g/mol
LogP12.75
Rot. Bonds7

About N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine

N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine (PubChem CID 170278089) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine.

Molecular Properties

Compound NameN,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine
PubChem CID170278089
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC NameN,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine
SMILESC1=CC2C(C=C1c1ccc(-c3ccc(-c4ccccc4)cc3)cc1)c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccccc1
InChIInChI=1S/C48H36N2/c1-5-13-35(14-6-1)36-21-23-37(24-22-36)38-25-27-39(28-26-38)40-29-32-47-46(33-40)45-31-30-44(34-48(45)50(47)43-19-11-4-12-20-43)49(41-15-7-2-8-16-41)42-17-9-3-10-18-42/h1-34,46-47H
InChIKeyNCDTULVCOFANOK-UHFFFAOYSA-N
XLogP12.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-(6,9-diphenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,3-N-bis(6,9-diphenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 89235026
1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 89234982
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
1-N,3-N-dinaphthalen-1-yl-3-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 89030421
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline
CID 88867268
5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
5-N-[4-(3,6-dinaphthalen-1-yl-4a,9a-dihydrocarbazol-9-yl)phenyl]-1-N,3-N-bis[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 89235086
3-[9-(4-phenylphenyl)-4a,9a-dihydrocarbazol-3-yl]-9H-carbazole
CID 118369059
N-cyclohexa-1,3-dien-1-yl-4-phenyl-N-[4-[4-[9-(1,1,3,3-tetramethyl-2H-inden-5-yl)-4a,9a-dihydrocarbazol-3-yl]phenyl]phenyl]aniline
CID 170279613
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one
CID 146620678

Frequently Asked Questions

What is the IUPAC name of N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine?
The IUPAC name of N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine (CID 170278089) is N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine.
What is the SMILES notation for N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine?
The canonical SMILES for N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine is C1=CC2C(C=C1c1ccc(-c3ccc(-c4ccccc4)cc3)cc1)c1ccc(N(c3ccccc3)c3ccccc3)cc1N2c1ccccc1.
What is the InChIKey of N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine?
The InChIKey is NCDTULVCOFANOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-5-13-35(14-6-1)36-21-23-37(24-22-36)38-25-27-39(28-26-38)40-29-32-47-46(33-40)45-31-30-44(34-48(45)50(47)43-19-11-4-12-20-43)49(41-15-7-2-8-16-41)42-17-9-3-10-18-42/h1-34,46-47H.
What are the key properties of N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine?
N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine has a molecular weight of 640.83 g/mol, XLogP of 12.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine is sourced from PubChem (CID 170278089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).