benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline

C43H35BrN2 — CID 145407612

IUPACbenzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(Br)cc4)ccc2n3C2=CCCC=C2)cc1.c1ccccc1
InChIInChI=1S/C37H29BrN2.C6H6/c1-39(31-8-4-2-5-9-31)32-20-14-27(15-21-32)29-17-23-37-35(25-29)34-24-28(26-12-18-30(38)19-13-26)16-22-36(34)40(37)33-10-6-3-7-11-33;1-2-4-6-5-3-1/h2,4-6,8-25H,3,7H2,1H3;1-6H
InChIKeyNTNOWNPINYFHTO-UHFFFAOYSA-N
MW659.67 g/mol
LogP12.54
Rot. Bonds5

About benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline

benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline (PubChem CID 145407612) has the molecular formula C43H35BrN2 and a molecular weight of 659.67 g/mol. Its IUPAC name is benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline.

Molecular Properties

Compound Namebenzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline
PubChem CID145407612
Molecular FormulaC43H35BrN2
Molecular Weight659.67 g/mol
Exact Mass658.20
IUPAC Namebenzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(Br)cc4)ccc2n3C2=CCCC=C2)cc1.c1ccccc1
InChIInChI=1S/C37H29BrN2.C6H6/c1-39(31-8-4-2-5-9-31)32-20-14-27(15-21-32)29-17-23-37-35(25-29)34-24-28(26-12-18-30(38)19-13-26)16-22-36(34)40(37)33-10-6-3-7-11-33;1-2-4-6-5-3-1/h2,4-6,8-25H,3,7H2,1H3;1-6H
InChIKeyNTNOWNPINYFHTO-UHFFFAOYSA-N
XLogP12.54
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.67
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
CID 174151922
CID 174151922
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 166723458
N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90231391
20-(3-bromophenyl)-16-cyclohexa-1,5-dien-1-yl-9-thia-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 126718367
N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 66584191
4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143216545
N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine
CID 88951489
N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 126632601
5-(21-cyclohexa-1,5-dien-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-1-N,3-N-dinaphthalen-2-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 145370657

Frequently Asked Questions

What is the IUPAC name of benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline?
The IUPAC name of benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline (CID 145407612) is benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline.
What is the SMILES notation for benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline?
The canonical SMILES for benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline is CN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(Br)cc4)ccc2n3C2=CCCC=C2)cc1.c1ccccc1.
What is the InChIKey of benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline?
The InChIKey is NTNOWNPINYFHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29BrN2.C6H6/c1-39(31-8-4-2-5-9-31)32-20-14-27(15-21-32)29-17-23-37-35(25-29)34-24-28(26-12-18-30(38)19-13-26)16-22-36(34)40(37)33-10-6-3-7-11-33;1-2-4-6-5-3-1/h2,4-6,8-25H,3,7H2,1H3;1-6H.
What are the key properties of benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline?
benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline has a molecular weight of 659.67 g/mol, XLogP of 12.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline is sourced from PubChem (CID 145407612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).