N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline

C106H70N4S2 — CID 157069512

IUPACN,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline
SMILESc1ccc(-n2c3ccccc3c3sc4c(-c5cccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-c7cccc8ccccc78)cc6)c5)cccc4c32)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)c2)cc1
InChIInChI=1S/C58H38N2S.C48H32N2S/c1-2-19-44(20-3-1)60-55-29-9-8-24-53(55)58-56(60)54-28-13-27-52(57(54)61-58)43-18-10-21-47(38-43)59(45-34-30-41(31-35-45)50-25-11-16-39-14-4-6-22-48(39)50)46-36-32-42(33-37-46)51-26-12-17-40-15-5-7-23-49(40)51;1-3-16-38(17-4-1)49(40-29-27-34(28-30-40)36-26-25-33-13-7-8-14-35(33)31-36)41-20-11-15-37(32-41)42-22-12-23-44-46-48(51-47(42)44)43-21-9-10-24-45(43)50(46)39-18-5-2-6-19-39/h1-38H;1-32H
InChIKeyACGKOVJVJGRBRO-UHFFFAOYSA-N
MW1463.89 g/mol
LogP30.73
Rot. Bonds13

About N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline

N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline (PubChem CID 157069512) has the molecular formula C106H70N4S2 and a molecular weight of 1463.89 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline
PubChem CID157069512
Molecular FormulaC106H70N4S2
Molecular Weight1463.89 g/mol
Exact Mass1462.50
IUPAC NameN,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline
SMILESc1ccc(-n2c3ccccc3c3sc4c(-c5cccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-c7cccc8ccccc78)cc6)c5)cccc4c32)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)c2)cc1
InChIInChI=1S/C58H38N2S.C48H32N2S/c1-2-19-44(20-3-1)60-55-29-9-8-24-53(55)58-56(60)54-28-13-27-52(57(54)61-58)43-18-10-21-47(38-43)59(45-34-30-41(31-35-45)50-25-11-16-39-14-4-6-22-48(39)50)46-36-32-42(33-37-46)51-26-12-17-40-15-5-7-23-49(40)51;1-3-16-38(17-4-1)49(40-29-27-34(28-30-40)36-26-25-33-13-7-8-14-35(33)31-36)41-20-11-15-37(32-41)42-22-12-23-44-46-48(51-47(42)44)43-21-9-10-24-45(43)50(46)39-18-5-2-6-19-39/h1-38H;1-32H
InChIKeyACGKOVJVJGRBRO-UHFFFAOYSA-N
XLogP30.73
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001463.89
LogP ≤ 530.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]dibenzofuran-4-amine;N-[3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 161047454
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659999
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 166659546
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 157492697
N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 161018282
N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;2-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157487885
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 146580365
N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 121296524
N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine
CID 167195327
3-(6-naphthalen-1-ylnaphthalen-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 118602505

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline?
The IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline (CID 157069512) is N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline.
What is the SMILES notation for N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline?
The canonical SMILES for N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline is c1ccc(-n2c3ccccc3c3sc4c(-c5cccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-c7cccc8ccccc78)cc6)c5)cccc4c32)cc1.c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)c2)cc1.
What is the InChIKey of N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline?
The InChIKey is ACGKOVJVJGRBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2S.C48H32N2S/c1-2-19-44(20-3-1)60-55-29-9-8-24-53(55)58-56(60)54-28-13-27-52(57(54)61-58)43-18-10-21-47(38-43)59(45-34-30-41(31-35-45)50-25-11-16-39-14-4-6-22-48(39)50)46-36-32-42(33-37-46)51-26-12-17-40-15-5-7-23-49(40)51;1-3-16-38(17-4-1)49(40-29-27-34(28-30-40)36-26-25-33-13-7-8-14-35(33)31-36)41-20-11-15-37(32-41)42-22-12-23-44-46-48(51-47(42)44)43-21-9-10-24-45(43)50(46)39-18-5-2-6-19-39/h1-38H;1-32H.
What are the key properties of N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline?
N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline has a molecular weight of 1463.89 g/mol, XLogP of 30.73, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-1-ylphenyl)-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline;N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)aniline is sourced from PubChem (CID 157069512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).