9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine

C42H35N3 — CID 163888660

IUPAC9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine
SMILESC1=CC2C(C=C1N(c1ccccc1)c1ccc3c(c1)c1ccccc1n3C1=CCCCC1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C42H35N3/c1-4-14-30(15-5-1)43(33-24-26-41-37(28-33)35-20-10-12-22-39(35)44(41)31-16-6-2-7-17-31)34-25-27-42-38(29-34)36-21-11-13-23-40(36)45(42)32-18-8-3-9-19-32/h1-2,4-7,10-18,20-29,37,41H,3,8-9,19H2
InChIKeyPZQVXMZWXDOLFQ-UHFFFAOYSA-N
MW581.76 g/mol
LogP11.11
Rot. Bonds5

About 9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine

9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine (PubChem CID 163888660) has the molecular formula C42H35N3 and a molecular weight of 581.76 g/mol. Its IUPAC name is 9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine.

Molecular Properties

Compound Name9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine
PubChem CID163888660
Molecular FormulaC42H35N3
Molecular Weight581.76 g/mol
Exact Mass581.28
IUPAC Name9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine
SMILESC1=CC2C(C=C1N(c1ccccc1)c1ccc3c(c1)c1ccccc1n3C1=CCCCC1)c1ccccc1N2c1ccccc1
InChIInChI=1S/C42H35N3/c1-4-14-30(15-5-1)43(33-24-26-41-37(28-33)35-20-10-12-22-39(35)44(41)31-16-6-2-7-17-31)34-25-27-42-38(29-34)36-21-11-13-23-40(36)45(42)32-18-8-3-9-19-32/h1-2,4-7,10-18,20-29,37,41H,3,8-9,19H2
InChIKeyPZQVXMZWXDOLFQ-UHFFFAOYSA-N
XLogP11.11
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.76
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-cyclohexa-2,4-dien-1-yl-3-N,6-N-diphenyl-3-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-N-(9-phenylcarbazol-3-yl)carbazole-3,6-diamine
CID 163446293
8-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-5-N,5-N,8-N-tris(9-phenylcarbazol-3-yl)benzo[c]phenanthrene-5,8-diamine
CID 90892132
3-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,1-N,3-N-tris(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 118485799
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
1-N-phenyl-4-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 89059839
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 67892046
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
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
9-cyclohexa-1,3-dien-1-yl-3-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)cyclohexen-1-yl]carbazole
CID 138625874
N-[4-[4-(N-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 126517768
3-N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-1-N-(4-carbazol-9-ylphenyl)-2,4,6-trimethyl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87664499

Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine?
The IUPAC name of 9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine (CID 163888660) is 9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine.
What is the SMILES notation for 9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine?
The canonical SMILES for 9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine is C1=CC2C(C=C1N(c1ccccc1)c1ccc3c(c1)c1ccccc1n3C1=CCCCC1)c1ccccc1N2c1ccccc1.
What is the InChIKey of 9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine?
The InChIKey is PZQVXMZWXDOLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N3/c1-4-14-30(15-5-1)43(33-24-26-41-37(28-33)35-20-10-12-22-39(35)44(41)31-16-6-2-7-17-31)34-25-27-42-38(29-34)36-21-11-13-23-40(36)45(42)32-18-8-3-9-19-32/h1-2,4-7,10-18,20-29,37,41H,3,8-9,19H2.
What are the key properties of 9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine?
9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine has a molecular weight of 581.76 g/mol, XLogP of 11.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexen-1-yl)-N-phenyl-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-3-amine is sourced from PubChem (CID 163888660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).