9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole

C42H32N2 — CID 169037269

IUPAC9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole
SMILESC1=CCCC(n2c3ccccc3c3cccc(-c4cccc5c6c(n(-c7ccc(-c8ccccc8)cc7)c45)CCC=C6)c32)=C1
InChIInChI=1S/C42H32N2/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)44-40-24-10-8-18-34(40)36-20-12-22-38(42(36)44)37-21-11-19-35-33-17-7-9-23-39(33)43(41(35)37)31-15-5-2-6-16-31/h1-5,7-9,11-15,17-23,25-28H,6,10,16,24H2
InChIKeyUXUAXYZUXCTYBN-UHFFFAOYSA-N
MW564.73 g/mol
LogP11.22
Rot. Bonds4

About 9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole

9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole (PubChem CID 169037269) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole.

Molecular Properties

Compound Name9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole
PubChem CID169037269
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC Name9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole
SMILESC1=CCCC(n2c3ccccc3c3cccc(-c4cccc5c6c(n(-c7ccc(-c8ccccc8)cc7)c45)CCC=C6)c32)=C1
InChIInChI=1S/C42H32N2/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)44-40-24-10-8-18-34(40)36-20-12-22-38(42(36)44)37-21-11-19-35-33-17-7-9-23-39(33)43(41(35)37)31-15-5-2-6-16-31/h1-5,7-9,11-15,17-23,25-28H,6,10,16,24H2
InChIKeyUXUAXYZUXCTYBN-UHFFFAOYSA-N
XLogP11.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole
CID 134390608
12-cyclohexa-1,3-dien-1-yl-5-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 170206804
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
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
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole?
The IUPAC name of 9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole (CID 169037269) is 9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole.
What is the SMILES notation for 9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole?
The canonical SMILES for 9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole is C1=CCCC(n2c3ccccc3c3cccc(-c4cccc5c6c(n(-c7ccc(-c8ccccc8)cc7)c45)CCC=C6)c32)=C1.
What is the InChIKey of 9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole?
The InChIKey is UXUAXYZUXCTYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)44-40-24-10-8-18-34(40)36-20-12-22-38(42(36)44)37-21-11-19-35-33-17-7-9-23-39(33)43(41(35)37)31-15-5-2-6-16-31/h1-5,7-9,11-15,17-23,25-28H,6,10,16,24H2.
What are the key properties of 9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole?
9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole has a molecular weight of 564.73 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole is sourced from PubChem (CID 169037269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).