N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine

C48H34N2S — CID 155396661

IUPACN-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESC1=CC(c2ccccc2-n2c3ccccc3c3ccccc32)CC=C1N(c1ccc(-c2ccccc2)cc1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C48H34N2S/c1-2-12-33(13-3-1)34-22-26-36(27-23-34)49(38-30-31-48-43(32-38)42-17-7-11-21-47(42)51-48)37-28-24-35(25-29-37)39-14-4-8-18-44(39)50-45-19-9-5-15-40(45)41-16-6-10-20-46(41)50/h1-24,26-32,35H,25H2
InChIKeyLAFBQPUVGOCDKQ-UHFFFAOYSA-N
MW670.88 g/mol
LogP13.58
Rot. Bonds6

About N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine

N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 155396661) has the molecular formula C48H34N2S and a molecular weight of 670.88 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID155396661
Molecular FormulaC48H34N2S
Molecular Weight670.88 g/mol
Exact Mass670.24
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESC1=CC(c2ccccc2-n2c3ccccc3c3ccccc32)CC=C1N(c1ccc(-c2ccccc2)cc1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C48H34N2S/c1-2-12-33(13-3-1)34-22-26-36(27-23-34)49(38-30-31-48-43(32-38)42-17-7-11-21-47(42)51-48)37-28-24-35(25-29-37)39-14-4-8-18-44(39)50-45-19-9-5-15-40(45)41-16-6-10-20-46(41)50/h1-24,26-32,35H,25H2
InChIKeyLAFBQPUVGOCDKQ-UHFFFAOYSA-N
XLogP13.58
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.88
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-2-yl-3-methylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
CID 154947190
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 118188127
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227669
N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118186960
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine
CID 167227767
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 155396661) is N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine is C1=CC(c2ccccc2-n2c3ccccc3c3ccccc32)CC=C1N(c1ccc(-c2ccccc2)cc1)c1ccc2sc3ccccc3c2c1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is LAFBQPUVGOCDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2S/c1-2-12-33(13-3-1)34-22-26-36(27-23-34)49(38-30-31-48-43(32-38)42-17-7-11-21-47(42)51-48)37-28-24-35(25-29-37)39-14-4-8-18-44(39)50-45-19-9-5-15-40(45)41-16-6-10-20-46(41)50/h1-24,26-32,35H,25H2.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 670.88 g/mol, XLogP of 13.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)cyclohexa-1,5-dien-1-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 155396661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).