N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine

C48H36N2 — CID 130390595

IUPACN-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESC1=C(c2ccccc2)CCC(n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc32)=C1
InChIInChI=1S/C48H36N2/c1-4-12-35(13-5-1)37-20-22-38(23-21-37)40-24-28-42(29-25-40)49(41-16-8-3-9-17-41)44-32-33-46-45-18-10-11-19-47(45)50(48(46)34-44)43-30-26-39(27-31-43)36-14-6-2-7-15-36/h1-26,28-30,32-34H,27,31H2
InChIKeyUBEGKDHJBZVRPP-UHFFFAOYSA-N
MW640.83 g/mol
LogP13.32
Rot. Bonds7

About N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine

N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (PubChem CID 130390595) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
PubChem CID130390595
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC NameN-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESC1=C(c2ccccc2)CCC(n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc32)=C1
InChIInChI=1S/C48H36N2/c1-4-12-35(13-5-1)37-20-22-38(23-21-37)40-24-28-42(29-25-40)49(41-16-8-3-9-17-41)44-32-33-46-45-18-10-11-19-47(45)50(48(46)34-44)43-30-26-39(27-31-43)36-14-6-2-7-15-36/h1-26,28-30,32-34H,27,31H2
InChIKeyUBEGKDHJBZVRPP-UHFFFAOYSA-N
XLogP13.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 145377441
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
5-(4-carbazol-9-ylcyclohexa-1,3-dien-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166895529
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 126598546
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 157469866
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The IUPAC name of N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (CID 130390595) is N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The canonical SMILES for N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is C1=C(c2ccccc2)CCC(n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc32)=C1.
What is the InChIKey of N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The InChIKey is UBEGKDHJBZVRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-4-12-35(13-5-1)37-20-22-38(23-21-37)40-24-28-42(29-25-40)49(41-16-8-3-9-17-41)44-32-33-46-45-18-10-11-19-47(45)50(48(46)34-44)43-30-26-39(27-31-43)36-14-6-2-7-15-36/h1-26,28-30,32-34H,27,31H2.
What are the key properties of N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine has a molecular weight of 640.83 g/mol, XLogP of 13.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is sourced from PubChem (CID 130390595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).