3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole

C42H30N2 — CID 144650120

IUPAC3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc23)CC1
InChIInChI=1S/C42H30N2/c1-4-12-29(13-5-1)30-20-23-41-37(26-30)38-28-32(22-25-42(38)44(41)34-16-8-3-9-17-34)31-21-24-40-36(27-31)35-18-10-11-19-39(35)43(40)33-14-6-2-7-15-33/h1-10,12-18,20-28H,11,19H2
InChIKeyNTTJMKVHHMQZNK-UHFFFAOYSA-N
MW562.72 g/mol
LogP11.02
Rot. Bonds4

About 3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole

3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole (PubChem CID 144650120) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
PubChem CID144650120
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
SMILESC1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc23)CC1
InChIInChI=1S/C42H30N2/c1-4-12-29(13-5-1)30-20-23-41-37(26-30)38-28-32(22-25-42(38)44(41)34-16-8-3-9-17-34)31-21-24-40-36(27-31)35-18-10-11-19-39(35)43(40)33-14-6-2-7-15-33/h1-10,12-18,20-28H,11,19H2
InChIKeyNTTJMKVHHMQZNK-UHFFFAOYSA-N
XLogP11.02
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole
CID 170205076
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025
6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole
CID 155111392
9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
CID 88932452
3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 134320780
6-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenyl-1,2-dihydrocarbazole
CID 67678813
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
7-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole
CID 153329342
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997

Frequently Asked Questions

What is the IUPAC name of 3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole?
The IUPAC name of 3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole (CID 144650120) is 3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole?
The canonical SMILES for 3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole is C1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc23)CC1.
What is the InChIKey of 3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole?
The InChIKey is NTTJMKVHHMQZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-4-12-29(13-5-1)30-20-23-41-37(26-30)38-28-32(22-25-42(38)44(41)34-16-8-3-9-17-34)31-21-24-40-36(27-31)35-18-10-11-19-39(35)43(40)33-14-6-2-7-15-33/h1-10,12-18,20-28H,11,19H2.
What are the key properties of 3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole?
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole has a molecular weight of 562.72 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 144650120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).