8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine

C54H36N2S — CID 166856058

IUPAC8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(N(c4ccccc4)c4ccc5ccccc5c4)c4sc5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-3-13-37(14-4-1)40-23-28-45(29-24-40)55(46-30-25-38-15-7-9-18-42(38)33-46)48-35-51-50-32-27-41-17-11-12-22-49(41)53(50)57-54(51)52(36-48)56(44-20-5-2-6-21-44)47-31-26-39-16-8-10-19-43(39)34-47/h1-36H
InChIKeyNCTMSAGMAHDQBH-UHFFFAOYSA-N
MW744.96 g/mol
LogP16.12
Rot. Bonds7

About 8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine

8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine (PubChem CID 166856058) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is 8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine.

Molecular Properties

Compound Name8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
PubChem CID166856058
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC Name8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(N(c4ccccc4)c4ccc5ccccc5c4)c4sc5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-3-13-37(14-4-1)40-23-28-45(29-24-40)55(46-30-25-38-15-7-9-18-42(38)33-46)48-35-51-50-32-27-41-17-11-12-22-49(41)53(50)57-54(51)52(36-48)56(44-20-5-2-6-21-44)47-31-26-39-16-8-10-19-43(39)34-47/h1-36H
InChIKeyNCTMSAGMAHDQBH-UHFFFAOYSA-N
XLogP16.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-N-dibenzothiophen-2-yl-8-N,10-N-diphenyl-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine
CID 166856583
8-N,23-N-diphenyl-8-N,23-N-bis(4-phenylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
CID 155361978
7-N-phenyl-9-N-(3-phenylphenyl)-7-N,9-N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,9-diamine
CID 166856623
2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,4,7-triamine
CID 160948013
N-benzo[c]phenanthren-2-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167184240
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 158284393
N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 159314594
N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 121296524
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167277417
7-N,7-N,9-N-triphenyl-9-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,9-diamine
CID 166856828
N-benzo[g]phenanthren-3-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167183460

Frequently Asked Questions

What is the IUPAC name of 8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine?
The IUPAC name of 8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine (CID 166856058) is 8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine.
What is the SMILES notation for 8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine?
The canonical SMILES for 8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(N(c4ccccc4)c4ccc5ccccc5c4)c4sc5c6ccccc6ccc5c4c3)cc2)cc1.
What is the InChIKey of 8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine?
The InChIKey is NCTMSAGMAHDQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-3-13-37(14-4-1)40-23-28-45(29-24-40)55(46-30-25-38-15-7-9-18-42(38)33-46)48-35-51-50-32-27-41-17-11-12-22-49(41)53(50)57-54(51)52(36-48)56(44-20-5-2-6-21-44)47-31-26-39-16-8-10-19-43(39)34-47/h1-36H.
What are the key properties of 8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine?
8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine has a molecular weight of 744.96 g/mol, XLogP of 16.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,10-N-dinaphthalen-2-yl-10-N-phenyl-8-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,10-diamine is sourced from PubChem (CID 166856058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).