7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole

C42H30BrN — CID 144892771

IUPAC7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole
SMILESBrc1ccccc1-c1ccc(-c2ccc3c(c2)N(c2ccc(-c4ccccc4)cc2-c2ccccc2)C2=CC=CCC23)cc1
InChIInChI=1S/C42H30BrN/c43-39-17-9-7-15-35(39)32-21-19-30(20-22-32)34-23-25-37-36-16-8-10-18-40(36)44(42(37)28-34)41-26-24-33(29-11-3-1-4-12-29)27-38(41)31-13-5-2-6-14-31/h1-15,17-28,36H,16H2
InChIKeyNQUJFLTYBDKLEE-UHFFFAOYSA-N
MW628.61 g/mol
LogP12.20
Rot. Bonds5

About 7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole

7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole (PubChem CID 144892771) has the molecular formula C42H30BrN and a molecular weight of 628.61 g/mol. Its IUPAC name is 7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole.

Molecular Properties

Compound Name7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole
PubChem CID144892771
Molecular FormulaC42H30BrN
Molecular Weight628.61 g/mol
Exact Mass627.16
IUPAC Name7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole
SMILESBrc1ccccc1-c1ccc(-c2ccc3c(c2)N(c2ccc(-c4ccccc4)cc2-c2ccccc2)C2=CC=CCC23)cc1
InChIInChI=1S/C42H30BrN/c43-39-17-9-7-15-35(39)32-21-19-30(20-22-32)34-23-25-37-36-16-8-10-18-40(36)44(42(37)28-34)41-26-24-33(29-11-3-1-4-12-29)27-38(41)31-13-5-2-6-14-31/h1-15,17-28,36H,16H2
InChIKeyNQUJFLTYBDKLEE-UHFFFAOYSA-N
XLogP12.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.61
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]-4b,5-dihydrocarbazol-2-yl]phenyl]aniline
CID 144907550
7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole
CID 144907676
9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
CID 145340628
9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole
CID 166668356
9-phenyl-4,4a-dihydrocarbazole
CID 139382101
ethane;9-[4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-7-[4-(2-phenylcycloprop-2-en-1-yl)phenyl]-4,4a-dihydrocarbazole;1-phenylethenamine;toluene
CID 144785421
N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 167169670
3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 167134855
11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole
CID 145080000
[(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine
CID 145340721
9-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,4a-dihydrocarbazole
CID 146364509

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole?
The IUPAC name of 7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole (CID 144892771) is 7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole.
What is the SMILES notation for 7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole?
The canonical SMILES for 7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole is Brc1ccccc1-c1ccc(-c2ccc3c(c2)N(c2ccc(-c4ccccc4)cc2-c2ccccc2)C2=CC=CCC23)cc1.
What is the InChIKey of 7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole?
The InChIKey is NQUJFLTYBDKLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30BrN/c43-39-17-9-7-15-35(39)32-21-19-30(20-22-32)34-23-25-37-36-16-8-10-18-40(36)44(42(37)28-34)41-26-24-33(29-11-3-1-4-12-29)27-38(41)31-13-5-2-6-14-31/h1-15,17-28,36H,16H2.
What are the key properties of 7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole?
7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole has a molecular weight of 628.61 g/mol, XLogP of 12.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-bromophenyl)phenyl]-9-(2,4-diphenylphenyl)-4,4a-dihydrocarbazole is sourced from PubChem (CID 144892771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).