N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine

C52H34N2S — CID 166847694

IUPACN-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccccc3)c2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C52H34N2S/c1-3-16-35(17-4-1)40-22-9-12-27-47(40)53(39-30-31-43-42-24-11-14-29-50(42)55-51(43)33-39)38-21-15-18-36(32-38)46-34-49-52(44-25-8-7-23-41(44)46)45-26-10-13-28-48(45)54(49)37-19-5-2-6-20-37/h1-34H
InChIKeyBHKORPSKVFROIT-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine

N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 166847694) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
PubChem CID166847694
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccccc3)c2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C52H34N2S/c1-3-16-35(17-4-1)40-22-9-12-27-47(40)53(39-30-31-43-42-24-11-14-29-50(42)55-51(43)33-39)38-21-15-18-36(32-38)46-34-49-52(44-25-8-7-23-41(44)46)45-26-10-13-28-48(45)54(49)37-19-5-2-6-20-37/h1-34H
InChIKeyBHKORPSKVFROIT-UHFFFAOYSA-N
XLogP15.11
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.93
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169010108
N-[3-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 166847673
N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502523
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
N-dibenzothiophen-3-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 169009865
N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine
CID 165155434
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 164957060
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501679
N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129085119

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine (CID 166847694) is N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccccc2N(c2cccc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccccc3)c2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is BHKORPSKVFROIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-16-35(17-4-1)40-22-9-12-27-47(40)53(39-30-31-43-42-24-11-14-29-50(42)55-51(43)33-39)38-21-15-18-36(32-38)46-34-49-52(44-25-8-7-23-41(44)46)45-26-10-13-28-48(45)54(49)37-19-5-2-6-20-37/h1-34H.
What are the key properties of N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine?
N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 718.93 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 166847694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).