N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

C52H34N2S — CID 167222224

IUPACN-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5cccc(-n6c7ccccc7c7ccccc76)c5)c5cccc6c5sc5ccccc56)cc4)c23)cc1
InChIInChI=1S/C52H34N2S/c1-2-14-35(15-3-1)41-23-10-16-37-17-11-24-42(51(37)41)36-30-32-38(33-31-36)53(49-28-13-25-46-45-22-6-9-29-50(45)55-52(46)49)39-18-12-19-40(34-39)54-47-26-7-4-20-43(47)44-21-5-8-27-48(44)54/h1-34H
InChIKeyOAVAZTBWYMABFE-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 167222224) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
PubChem CID167222224
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5cccc(-n6c7ccccc7c7ccccc76)c5)c5cccc6c5sc5ccccc56)cc4)c23)cc1
InChIInChI=1S/C52H34N2S/c1-2-14-35(15-3-1)41-23-10-16-37-17-11-24-42(51(37)41)36-30-32-38(33-31-36)53(49-28-13-25-46-45-22-6-9-29-50(45)55-52(46)49)39-18-12-19-40(34-39)54-47-26-7-4-20-43(47)44-21-5-8-27-48(44)54/h1-34H
InChIKeyOAVAZTBWYMABFE-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-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170380092
N-dibenzothiophen-4-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298580
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298558
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380029
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298563
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 146578511
N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 167087055
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298566
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 156520642
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (CID 167222224) is N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5cccc(-n6c7ccccc7c7ccccc76)c5)c5cccc6c5sc5ccccc56)cc4)c23)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is OAVAZTBWYMABFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-2-14-35(15-3-1)41-23-10-16-37-17-11-24-42(51(37)41)36-30-32-38(33-31-36)53(49-28-13-25-46-45-22-6-9-29-50(45)55-52(46)49)39-18-12-19-40(34-39)54-47-26-7-4-20-43(47)44-21-5-8-27-48(44)54/h1-34H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-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-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 167222224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).