N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine

C52H34N2S — CID 164790605

IUPACN-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4cccc5ccccc45)cccc23)cc1
InChIInChI=1S/C52H34N2S/c1-3-15-36(16-4-1)42-24-13-26-45-46-27-14-30-49(52(46)55-51(42)45)53(47-29-11-18-35-17-7-8-21-40(35)47)39-33-31-37(32-34-39)41-23-12-25-44-43-22-9-10-28-48(43)54(50(41)44)38-19-5-2-6-20-38/h1-34H
InChIKeyBMOMXTOQKJBIQJ-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine

N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 164790605) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine
PubChem CID164790605
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4cccc5ccccc45)cccc23)cc1
InChIInChI=1S/C52H34N2S/c1-3-15-36(16-4-1)42-24-13-26-45-46-27-14-30-49(52(46)55-51(42)45)53(47-29-11-18-35-17-7-8-21-40(35)47)39-33-31-37(32-34-39)41-23-12-25-44-43-22-9-10-28-48(43)54(50(41)44)38-19-5-2-6-20-38/h1-34H
InChIKeyBMOMXTOQKJBIQJ-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

9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine
CID 164790635
N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
CID 164790578
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501807
N-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-1-amine;N-(4-carbazol-9-ylphenyl)-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine;9-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)carbazol-1-amine
CID 164984088
N-dibenzothiophen-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781396
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157487885
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298566
N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
CID 164790736
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298758
N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167182149
N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 150047610

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine (CID 164790605) is N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4cccc5ccccc45)cccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is BMOMXTOQKJBIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-15-36(16-4-1)42-24-13-26-45-46-27-14-30-49(52(46)55-51(42)45)53(47-29-11-18-35-17-7-8-21-40(35)47)39-33-31-37(32-34-39)41-23-12-25-44-43-22-9-10-28-48(43)54(50(41)44)38-19-5-2-6-20-38/h1-34H.
What are the key properties of N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine?
N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-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-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 164790605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).