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

C50H32N2S — CID 163536806

IUPACN-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine
SMILESc1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccc7ccccc7c56)cc4c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C50H32N2S/c1-3-11-33(12-4-1)34-19-22-39(23-20-34)52-46-27-25-40(31-45(46)44-29-36-14-7-8-15-37(36)30-47(44)52)51(38-16-5-2-6-17-38)41-24-26-43-49(32-41)53-48-28-21-35-13-9-10-18-42(35)50(43)48/h1-32H
InChIKeyDXROWOLTXOJROE-UHFFFAOYSA-N
MW692.89 g/mol
LogP14.59
Rot. Bonds5

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

N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine (PubChem CID 163536806) has the molecular formula C50H32N2S and a molecular weight of 692.89 g/mol. Its IUPAC name is N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine.

Molecular Properties

Compound NameN-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine
PubChem CID163536806
Molecular FormulaC50H32N2S
Molecular Weight692.89 g/mol
Exact Mass692.23
IUPAC NameN-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine
SMILESc1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccc7ccccc7c56)cc4c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C50H32N2S/c1-3-11-33(12-4-1)34-19-22-39(23-20-34)52-46-27-25-40(31-45(46)44-29-36-14-7-8-15-37(36)30-47(44)52)51(38-16-5-2-6-17-38)41-24-26-43-49(32-41)53-48-28-21-35-13-9-10-18-42(35)50(43)48/h1-32H
InChIKeyDXROWOLTXOJROE-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-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 170042593
4-N-(3-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165017692
N-naphtho[2,3-b][1]benzothiol-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 165009845
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-dibenzothiophen-3-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847666
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170042092
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169285540
N-(9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)-N,9-diphenylcarbazol-3-amine
CID 162475527
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 167184091
N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170038826
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042535

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine?
The IUPAC name of N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine (CID 163536806) is N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine.
What is the SMILES notation for N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine?
The canonical SMILES for N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine is c1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccc7ccccc7c56)cc4c4cc5ccccc5cc43)cc2)cc1.
What is the InChIKey of N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine?
The InChIKey is DXROWOLTXOJROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2S/c1-3-11-33(12-4-1)34-19-22-39(23-20-34)52-46-27-25-40(31-45(46)44-29-36-14-7-8-15-37(36)30-47(44)52)51(38-16-5-2-6-17-38)41-24-26-43-49(32-41)53-48-28-21-35-13-9-10-18-42(35)50(43)48/h1-32H.
What are the key properties of N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine?
N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-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[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine is sourced from PubChem (CID 163536806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).