N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine

C52H34N2S — CID 168809308

IUPACN-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)cc3)c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H34N2S/c1-2-14-35(15-3-1)37-17-12-18-40(32-37)53(49-25-13-27-51-52(49)45-22-8-11-26-50(45)55-51)39-30-28-36(29-31-39)46-34-41(33-38-16-4-5-19-42(38)46)54-47-23-9-6-20-43(47)44-21-7-10-24-48(44)54/h1-34H
InChIKeyJBFAYHWFCDIXGD-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine

N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 168809308) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
PubChem CID168809308
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)cc3)c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H34N2S/c1-2-14-35(15-3-1)37-17-12-18-40(32-37)53(49-25-13-27-51-52(49)45-22-8-11-26-50(45)55-51)39-30-28-36(29-31-39)46-34-41(33-38-16-4-5-19-42(38)46)54-47-23-9-6-20-43(47)44-21-7-10-24-48(44)54/h1-34H
InChIKeyJBFAYHWFCDIXGD-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-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322840
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 168809283
3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 168809207
N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 166847774
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 168809328
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325535
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
CID 155051682
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
CID 156521073
N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 167230417

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine (CID 168809308) is N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2cccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)cc3)c3cccc4sc5ccccc5c34)c2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is JBFAYHWFCDIXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-2-14-35(15-3-1)37-17-12-18-40(32-37)53(49-25-13-27-51-52(49)45-22-8-11-26-50(45)55-51)39-30-28-36(29-31-39)46-34-41(33-38-16-4-5-19-42(38)46)54-47-23-9-6-20-43(47)44-21-7-10-24-48(44)54/h1-34H.
What are the key properties of N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine?
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-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-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 168809308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).