12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine

C48H32N2S — CID 122578520

IUPAC12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5n(-c5ccccc5)c4c4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-4-14-33(15-5-1)35-24-28-38(29-25-35)49(39-30-26-36(27-31-39)34-16-6-2-7-17-34)44-32-42-40-20-10-12-22-43(40)50(37-18-8-3-9-19-37)47(42)46-41-21-11-13-23-45(41)51-48(44)46/h1-32H
InChIKeyWYHJAFFTXUHWOL-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

About 12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine

12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine (PubChem CID 122578520) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is 12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine.

Molecular Properties

Compound Name12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine
PubChem CID122578520
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC Name12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5n(-c5ccccc5)c4c4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-4-14-33(15-5-1)35-24-28-38(29-25-35)49(39-30-26-36(27-31-39)34-16-6-2-7-17-34)44-32-42-40-20-10-12-22-43(40)50(37-18-8-3-9-19-37)47(42)46-41-21-11-13-23-45(41)51-48(44)46/h1-32H
InChIKeyWYHJAFFTXUHWOL-UHFFFAOYSA-N
XLogP13.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine
CID 122578629
3-chloro-N-phenyl-5-[4-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161338244
3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 134275264
4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 144585485
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline
CID 144585475
3-N-dibenzofuran-1-yl-3-N-phenyl-5-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 162465014
N-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170042316
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170666339
N-phenyl-3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N-(4-phenylphenyl)-5-[phenyl-(4-phenylphenyl)methyl]aniline
CID 161387848
3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 164997385
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine?
The IUPAC name of 12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine (CID 122578520) is 12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine.
What is the SMILES notation for 12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine?
The canonical SMILES for 12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5n(-c5ccccc5)c4c4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine?
The InChIKey is WYHJAFFTXUHWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-4-14-33(15-5-1)35-24-28-38(29-25-35)49(39-30-26-36(27-31-39)34-16-6-2-7-17-34)44-32-42-40-20-10-12-22-43(40)50(37-18-8-3-9-19-37)47(42)46-41-21-11-13-23-45(41)51-48(44)46/h1-32H.
What are the key properties of 12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine?
12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine has a molecular weight of 668.87 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine is sourced from PubChem (CID 122578520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).