N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine

C56H34N2S2 — CID 156521135

IUPACN-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4ccccc34)cc2)c2sc3ccccc3c2c1
InChIInChI=1S/C56H34N2S2/c1-2-14-38-31-52-47(30-37(38)13-1)43-17-5-8-20-51(43)58(52)41-33-46(56-49(34-41)45-19-7-10-23-54(45)60-56)36-24-26-39(27-25-36)57(50-21-11-15-35-12-3-4-16-42(35)50)40-28-29-55-48(32-40)44-18-6-9-22-53(44)59-55/h1-34H
InChIKeyPDXGXKIHQKPOJN-UHFFFAOYSA-N
MW799.04 g/mol
LogP16.96
Rot. Bonds5

About N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine

N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine (PubChem CID 156521135) has the molecular formula C56H34N2S2 and a molecular weight of 799.04 g/mol. Its IUPAC name is N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
PubChem CID156521135
Molecular FormulaC56H34N2S2
Molecular Weight799.04 g/mol
Exact Mass798.22
IUPAC NameN-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4ccccc34)cc2)c2sc3ccccc3c2c1
InChIInChI=1S/C56H34N2S2/c1-2-14-38-31-52-47(30-37(38)13-1)43-17-5-8-20-51(43)58(52)41-33-46(56-49(34-41)45-19-7-10-23-54(45)60-56)36-24-26-39(27-25-36)57(50-21-11-15-35-12-3-4-16-42(35)50)40-28-29-55-48(32-40)44-18-6-9-22-53(44)59-55/h1-34H
InChIKeyPDXGXKIHQKPOJN-UHFFFAOYSA-N
XLogP16.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.04
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 156521401
N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine
CID 163689901
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-N-naphthalen-1-yltriphenylen-2-amine
CID 90321241
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
CID 156520484
6-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-phenanthren-3-yl-9-phenylcarbazol-2-amine
CID 137493834
6-N-[7-(N-naphthalen-1-ylanilino)dibenzothiophen-2-yl]-2-N,2-N,9-triphenyl-6-N-(4-phenylphenyl)carbazole-2,6-diamine
CID 129194367
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline
CID 156520886
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yl-1,2-dihydrodibenzothiophen-1-amine
CID 156520264
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 166591724
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 156520876
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 176609970

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine?
The IUPAC name of N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine (CID 156521135) is N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine.
What is the SMILES notation for N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine?
The canonical SMILES for N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4ccccc34)cc2)c2sc3ccccc3c2c1.
What is the InChIKey of N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine?
The InChIKey is PDXGXKIHQKPOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2S2/c1-2-14-38-31-52-47(30-37(38)13-1)43-17-5-8-20-51(43)58(52)41-33-46(56-49(34-41)45-19-7-10-23-54(45)60-56)36-24-26-39(27-25-36)57(50-21-11-15-35-12-3-4-16-42(35)50)40-28-29-55-48(32-40)44-18-6-9-22-53(44)59-55/h1-34H.
What are the key properties of N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine?
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine has a molecular weight of 799.04 g/mol, XLogP of 16.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine is sourced from PubChem (CID 156521135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).