8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole

C30H22ClN — CID 121449214

IUPAC8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole
SMILESClc1cccc2c3cc(-c4ccccc4)cc(C4C=CC=CC4)c3n(-c3ccccc3)c12
InChIInChI=1S/C30H22ClN/c31-28-18-10-17-25-27-20-23(21-11-4-1-5-12-21)19-26(22-13-6-2-7-14-22)29(27)32(30(25)28)24-15-8-3-9-16-24/h1-13,15-20,22H,14H2
InChIKeyXZDXVAGHYJPFSN-UHFFFAOYSA-N
MW431.97 g/mol
LogP8.70
Rot. Bonds3

About 8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole

8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole (PubChem CID 121449214) has the molecular formula C30H22ClN and a molecular weight of 431.97 g/mol. Its IUPAC name is 8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole.

Molecular Properties

Compound Name8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole
PubChem CID121449214
Molecular FormulaC30H22ClN
Molecular Weight431.97 g/mol
Exact Mass431.14
IUPAC Name8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole
SMILESClc1cccc2c3cc(-c4ccccc4)cc(C4C=CC=CC4)c3n(-c3ccccc3)c12
InChIInChI=1S/C30H22ClN/c31-28-18-10-17-25-27-20-23(21-11-4-1-5-12-21)19-26(22-13-6-2-7-14-22)29(27)32(30(25)28)24-15-8-3-9-16-24/h1-13,15-20,22H,14H2
InChIKeyXZDXVAGHYJPFSN-UHFFFAOYSA-N
XLogP8.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)-6,9-diphenylcarbazole
CID 70995676
1-chloro-8,9-diphenylcarbazole
CID 146616822
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
9-[2-cyclohexa-2,4-dien-1-yl-4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]-1,3,6,8-tetraphenylcarbazole
CID 165020345
3-[9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 165155084
3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
11-(3-carbazol-9-ylphenyl)-12-(4-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 134240128
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
3-cyclohexa-2,4-dien-1-yl-5-phenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole
CID 126620697
3-cyclohexa-2,4-dien-1-yl-4,5-diphenyl-1,2,4-triazole
CID 149086143

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole?
The IUPAC name of 8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole (CID 121449214) is 8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole.
What is the SMILES notation for 8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole?
The canonical SMILES for 8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole is Clc1cccc2c3cc(-c4ccccc4)cc(C4C=CC=CC4)c3n(-c3ccccc3)c12.
What is the InChIKey of 8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole?
The InChIKey is XZDXVAGHYJPFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClN/c31-28-18-10-17-25-27-20-23(21-11-4-1-5-12-21)19-26(22-13-6-2-7-14-22)29(27)32(30(25)28)24-15-8-3-9-16-24/h1-13,15-20,22H,14H2.
What are the key properties of 8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole?
8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole has a molecular weight of 431.97 g/mol, XLogP of 8.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-cyclohexa-2,4-dien-1-yl-3,9-diphenylcarbazole is sourced from PubChem (CID 121449214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).