N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine

C50H32N2S — CID 165009845

IUPACN-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3cc5ccccc5cc34)c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C50H32N2S/c1-3-11-33(12-4-1)34-19-22-39(23-20-34)51(41-24-26-43-44-29-36-14-7-8-15-37(36)30-48(44)53-49(43)32-41)40-25-28-46-45(31-40)50-42-18-10-9-13-35(42)21-27-47(50)52(46)38-16-5-2-6-17-38/h1-32H
InChIKeyJNMAGSZNAYRMDH-UHFFFAOYSA-N
MW692.89 g/mol
LogP14.59
Rot. Bonds5

About N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine

N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine (PubChem CID 165009845) has the molecular formula C50H32N2S and a molecular weight of 692.89 g/mol. Its IUPAC name is N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine.

Molecular Properties

Compound NameN-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
PubChem CID165009845
Molecular FormulaC50H32N2S
Molecular Weight692.89 g/mol
Exact Mass692.23
IUPAC NameN-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3cc5ccccc5cc34)c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C50H32N2S/c1-3-11-33(12-4-1)34-19-22-39(23-20-34)51(41-24-26-43-44-29-36-14-7-8-15-37(36)30-48(44)53-49(43)32-41)40-25-28-46-45(31-40)50-42-18-10-9-13-35(42)21-27-47(50)52(46)38-16-5-2-6-17-38/h1-32H
InChIKeyJNMAGSZNAYRMDH-UHFFFAOYSA-N
XLogP14.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.89
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847666
N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163536806
N-dibenzothiophen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 160828586
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
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-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine
CID 167038184
N-phenyl-4-(7-phenylbenzo[c]carbazol-10-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 130265731
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-naphtho[2,3-b][1]benzothiol-3-yl-11-phenyl-N-(4-phenylnaphthalen-2-yl)benzo[a]carbazol-8-amine
CID 166997190
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
CID 167277542
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809750

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine?
The IUPAC name of N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine (CID 165009845) is N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine.
What is the SMILES notation for N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine?
The canonical SMILES for N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)sc3cc5ccccc5cc34)c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine?
The InChIKey is JNMAGSZNAYRMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2S/c1-3-11-33(12-4-1)34-19-22-39(23-20-34)51(41-24-26-43-44-29-36-14-7-8-15-37(36)30-48(44)53-49(43)32-41)40-25-28-46-45(31-40)50-42-18-10-9-13-35(42)21-27-47(50)52(46)38-16-5-2-6-17-38/h1-32H.
What are the key properties of N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine?
N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine has a molecular weight of 692.89 g/mol, XLogP of 14.59, 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-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine is sourced from PubChem (CID 165009845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).