4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C54H36N2S — CID 144585485

IUPAC4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4sc6ccccc6c4n5-c4ccccc4)cc3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-4-14-37(15-5-1)38-24-29-43(30-25-38)55(50-35-33-45(40-16-6-2-7-17-40)46-20-10-11-21-47(46)50)44-31-26-39(27-32-44)41-28-34-51-49(36-41)54-53(48-22-12-13-23-52(48)57-54)56(51)42-18-8-3-9-19-42/h1-36H
InChIKeyATJIZLQHKMXNLL-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.62
Rot. Bonds7

About 4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 144585485) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is 4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID144585485
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC Name4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4sc6ccccc6c4n5-c4ccccc4)cc3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-4-14-37(15-5-1)38-24-29-43(30-25-38)55(50-35-33-45(40-16-6-2-7-17-40)46-20-10-11-21-47(46)50)44-31-26-39(27-32-44)41-28-34-51-49(36-41)54-53(48-22-12-13-23-52(48)57-54)56(51)42-18-8-3-9-19-42/h1-36H
InChIKeyATJIZLQHKMXNLL-UHFFFAOYSA-N
XLogP15.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline
CID 144585475
N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine
CID 144585459
10-phenyl-3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-b]indole
CID 166871505
3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 90296100
12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine
CID 122578520
4-(8,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-3-yl)-N,N-diphenylaniline;N-[4-(8,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-3-yl)phenyl]-N,4-diphenylaniline;N-[4-(8,12-diphenyl-[1]benzothiolo[2,3-a]carbazol-3-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 161208702
N-(9,9-dimethylfluoren-2-yl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]dibenzofuran-2-amine
CID 144585436
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 71038259
N-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170042316
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine;4-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine
CID 157357490

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 144585485) is 4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4sc6ccccc6c4n5-c4ccccc4)cc3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is ATJIZLQHKMXNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-4-14-37(15-5-1)38-24-29-43(30-25-38)55(50-35-33-45(40-16-6-2-7-17-40)46-20-10-11-21-47(46)50)44-31-26-39(27-32-44)41-28-34-51-49(36-41)54-53(48-22-12-13-23-52(48)57-54)56(51)42-18-8-3-9-19-42/h1-36H.
What are the key properties of 4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 744.96 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 144585485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).