N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine

C54H34N2S — CID 166997190

IUPACN-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine
SMILESc1ccc(-c2cc(N(c3ccc4c(c3)sc3cc5ccccc5cc34)c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3)cc3ccccc23)cc1
InChIInChI=1S/C54H34N2S/c1-3-13-35(14-4-1)48-33-43(29-39-18-10-11-21-44(39)48)55(42-24-27-46-50-30-37-16-7-8-17-38(37)31-52(50)57-53(46)34-42)41-25-28-51-49(32-41)47-26-23-36-15-9-12-22-45(36)54(47)56(51)40-19-5-2-6-20-40/h1-34H
InChIKeyALKMAPKXFKIARF-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.75
Rot. Bonds5

About N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine

N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine (PubChem CID 166997190) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine.

Molecular Properties

Compound NameN-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine
PubChem CID166997190
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC NameN-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine
SMILESc1ccc(-c2cc(N(c3ccc4c(c3)sc3cc5ccccc5cc34)c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3)cc3ccccc23)cc1
InChIInChI=1S/C54H34N2S/c1-3-13-35(14-4-1)48-33-43(29-39-18-10-11-21-44(39)48)55(42-24-27-46-50-30-37-16-7-8-17-38(37)31-52(50)57-53(46)34-42)41-25-28-51-49(32-41)47-26-23-36-15-9-12-22-45(36)54(47)56(51)40-19-5-2-6-20-40/h1-34H
InChIKeyALKMAPKXFKIARF-UHFFFAOYSA-N
XLogP15.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.95
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenanthren-9-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
CID 168781468
N-dibenzothiophen-3-yl-N-naphtho[2,3-b][1]benzothiol-1-yl-11-phenylbenzo[a]carbazol-8-amine
CID 166997186
N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 165009845
7-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 168781883
N-dibenzothiophen-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-3-amine
CID 166847791
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline
CID 126718198
N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine
CID 126718547
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-2-amine
CID 168781903
N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline
CID 126718544
N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847901
4-dibenzothiophen-2-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168781954
4-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 168781565

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine?
The IUPAC name of N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine (CID 166997190) is N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine.
What is the SMILES notation for N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine?
The canonical SMILES for N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine is c1ccc(-c2cc(N(c3ccc4c(c3)sc3cc5ccccc5cc34)c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3)cc3ccccc23)cc1.
What is the InChIKey of N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine?
The InChIKey is ALKMAPKXFKIARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-3-13-35(14-4-1)48-33-43(29-39-18-10-11-21-44(39)48)55(42-24-27-46-50-30-37-16-7-8-17-38(37)31-52(50)57-53(46)34-42)41-25-28-51-49(32-41)47-26-23-36-15-9-12-22-45(36)54(47)56(51)40-19-5-2-6-20-40/h1-34H.
What are the key properties of N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine?
N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine has a molecular weight of 742.95 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine is sourced from PubChem (CID 166997190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).