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

C154H102N6S3 — CID 161208702

IUPAC4-(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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccc6c7cc(-c8ccccc8)ccc7sc6c4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccc(N(c8ccccc8)c8cccc9ccccc89)cc7)ccc6n(-c6ccccc6)c54)c3c2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc6n(-c6ccccc6)c54)c3c2)cc1
InChIInChI=1S/C54H36N2S.C52H34N2S.C48H32N2S/c1-5-13-37(14-6-1)39-21-27-45(28-22-39)55(43-17-9-3-10-18-43)46-29-23-40(24-30-46)41-25-33-51-49(35-41)47-31-32-48-50-36-42(38-15-7-2-8-16-38)26-34-52(50)57-54(48)53(47)56(51)44-19-11-4-12-20-44;1-4-13-35(14-5-1)39-26-32-50-47(34-39)45-30-29-44-46-33-38(25-31-49(46)54(51(44)52(45)55-50)41-19-8-3-9-20-41)36-23-27-42(28-24-36)53(40-17-6-2-7-18-40)48-22-12-16-37-15-10-11-21-43(37)48;1-5-13-33(14-6-1)36-24-30-46-44(32-36)42-28-27-41-43-31-35(23-29-45(43)50(47(41)48(42)51-46)39-19-11-4-12-20-39)34-21-25-40(26-22-34)49(37-15-7-2-8-16-37)38-17-9-3-10-18-38/h1-36H;1-34H;1-32H
InChIKeyUVYHXQBVVJEPOY-UHFFFAOYSA-N
MW2132.75 g/mol
LogP44.69
Rot. Bonds19

About 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

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 (PubChem CID 161208702) has the molecular formula C154H102N6S3 and a molecular weight of 2132.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID161208702
Molecular FormulaC154H102N6S3
Molecular Weight2132.75 g/mol
Exact Mass2130.73
IUPAC Name4-(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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccc6c7cc(-c8ccccc8)ccc7sc6c4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccc(N(c8ccccc8)c8cccc9ccccc89)cc7)ccc6n(-c6ccccc6)c54)c3c2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc6n(-c6ccccc6)c54)c3c2)cc1
InChIInChI=1S/C54H36N2S.C52H34N2S.C48H32N2S/c1-5-13-37(14-6-1)39-21-27-45(28-22-39)55(43-17-9-3-10-18-43)46-29-23-40(24-30-46)41-25-33-51-49(35-41)47-31-32-48-50-36-42(38-15-7-2-8-16-38)26-34-52(50)57-54(48)53(47)56(51)44-19-11-4-12-20-44;1-4-13-35(14-5-1)39-26-32-50-47(34-39)45-30-29-44-46-33-38(25-31-49(46)54(51(44)52(45)55-50)41-19-8-3-9-20-41)36-23-27-42(28-24-36)53(40-17-6-2-7-18-40)48-22-12-16-37-15-10-11-21-43(37)48;1-5-13-33(14-6-1)36-24-30-46-44(32-36)42-28-27-41-43-31-35(23-29-45(43)50(47(41)48(42)51-46)39-19-11-4-12-20-39)34-21-25-40(26-22-34)49(37-15-7-2-8-16-37)38-17-9-3-10-18-38/h1-36H;1-34H;1-32H
InChIKeyUVYHXQBVVJEPOY-UHFFFAOYSA-N
XLogP44.69
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms163
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002132.75
LogP ≤ 544.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

N-phenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine
CID 89448210
N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine
CID 89448236
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-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781351
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-diphenyl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-1-amine;N-naphthalen-2-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]naphthalen-2-amine
CID 162150455
N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine
CID 144585459
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167277297
N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine
CID 167110194
N-(4-phenanthren-3-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzothiophen-4-amine
CID 168781972
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccc6c7cc(-c8ccccc8)ccc7sc6c4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccc(N(c8ccccc8)c8cccc9ccccc89)cc7)ccc6n(-c6ccccc6)c54)c3c2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc6n(-c6ccccc6)c54)c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is UVYHXQBVVJEPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S.C52H34N2S.C48H32N2S/c1-5-13-37(14-6-1)39-21-27-45(28-22-39)55(43-17-9-3-10-18-43)46-29-23-40(24-30-46)41-25-33-51-49(35-41)47-31-32-48-50-36-42(38-15-7-2-8-16-38)26-34-52(50)57-54(48)53(47)56(51)44-19-11-4-12-20-44;1-4-13-35(14-5-1)39-26-32-50-47(34-39)45-30-29-44-46-33-38(25-31-49(46)54(51(44)52(45)55-50)41-19-8-3-9-20-41)36-23-27-42(28-24-36)53(40-17-6-2-7-18-40)48-22-12-16-37-15-10-11-21-43(37)48;1-5-13-33(14-6-1)36-24-30-46-44(32-36)42-28-27-41-43-31-35(23-29-45(43)50(47(41)48(42)51-46)39-19-11-4-12-20-39)34-21-25-40(26-22-34)49(37-15-7-2-8-16-37)38-17-9-3-10-18-38/h1-36H;1-34H;1-32H.
What are the key properties of 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?
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 has a molecular weight of 2132.75 g/mol, XLogP of 44.69, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161208702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).