N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine

C52H34N2S — CID 166565844

IUPACN-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1cc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C52H34N2S/c1-2-13-37-33-40(25-24-35(37)12-1)39-15-11-14-38(32-39)36-26-28-41(29-27-36)53(42-30-31-46-45-18-5-10-23-51(45)55-52(46)34-42)49-21-8-9-22-50(49)54-47-19-6-3-16-43(47)44-17-4-7-20-48(44)54/h1-34H
InChIKeyLLPRTKWHVIAKQO-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine

N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 166565844) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID166565844
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1cc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C52H34N2S/c1-2-13-37-33-40(25-24-35(37)12-1)39-15-11-14-38(32-39)36-26-28-41(29-27-36)53(42-30-31-46-45-18-5-10-23-51(45)55-52(46)34-42)49-21-8-9-22-50(49)54-47-19-6-3-16-43(47)44-17-4-7-20-48(44)54/h1-34H
InChIKeyLLPRTKWHVIAKQO-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-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
CID 167322523
2-carbazol-9-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566092
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 167322385
N-dibenzothiophen-3-yl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 166566346
N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 158774946
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine
CID 167322826
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256598
N-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 169073808
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167322828
N-[4-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-2-amine
CID 160941057
1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146664119
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 146577905

Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine (CID 166565844) is N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine is c1cc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is LLPRTKWHVIAKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-2-13-37-33-40(25-24-35(37)12-1)39-15-11-14-38(32-39)36-26-28-41(29-27-36)53(42-30-31-46-45-18-5-10-23-51(45)55-52(46)34-42)49-21-8-9-22-50(49)54-47-19-6-3-16-43(47)44-17-4-7-20-48(44)54/h1-34H.
What are the key properties of N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine?
N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]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-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 166565844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).