N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C52H34N2S — CID 170042369

IUPACN-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5sc6ccccc6c5c5ccccc45)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C52H34N2S/c1-3-13-35(14-4-1)36-23-27-39(28-24-36)53(41-31-32-44-43-18-9-11-21-48(43)54(49(44)33-41)38-15-5-2-6-16-38)40-29-25-37(26-30-40)47-34-51-52(45-19-8-7-17-42(45)47)46-20-10-12-22-50(46)55-51/h1-34H
InChIKeyAZFJANRYFXSKKN-UHFFFAOYSA-N
MW718.93 g/mol
LogP15.11
Rot. Bonds6

About N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 170042369) has the molecular formula C52H34N2S and a molecular weight of 718.93 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID170042369
Molecular FormulaC52H34N2S
Molecular Weight718.93 g/mol
Exact Mass718.24
IUPAC NameN-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5sc6ccccc6c5c5ccccc45)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C52H34N2S/c1-3-13-35(14-4-1)36-23-27-39(28-24-36)53(41-31-32-44-43-18-9-11-21-48(43)54(49(44)33-41)38-15-5-2-6-16-38)40-29-25-37(26-30-40)47-34-51-52(45-19-8-7-17-42(45)47)46-20-10-12-22-50(46)55-51/h1-34H
InChIKeyAZFJANRYFXSKKN-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-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170042092
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009610
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814676
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 168807456
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 170042369) is N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5sc6ccccc6c5c5ccccc45)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is AZFJANRYFXSKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S/c1-3-13-35(14-4-1)36-23-27-39(28-24-36)53(41-31-32-44-43-18-9-11-21-48(43)54(49(44)33-41)38-15-5-2-6-16-38)40-29-25-37(26-30-40)47-34-51-52(45-19-8-7-17-42(45)47)46-20-10-12-22-50(46)55-51/h1-34H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-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-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 170042369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).