N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C58H39NS — CID 118459286

IUPACN-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(-c6cccc7ccccc67)c(-c6cccc7ccccc67)sc5c4)cc3)cc2)cc1
InChIInChI=1S/C58H39NS/c1-3-13-40(14-4-1)42-25-32-48(33-26-42)59(49-34-27-43(28-35-49)41-15-5-2-6-16-41)50-36-29-44(30-37-50)47-31-38-55-56(39-47)60-58(54-24-12-20-46-18-8-10-22-52(46)54)57(55)53-23-11-19-45-17-7-9-21-51(45)53/h1-39H
InChIKeyWZPAVXRIODHRMW-UHFFFAOYSA-N
MW782.02 g/mol
LogP17.01
Rot. Bonds8

About N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 118459286) has the molecular formula C58H39NS and a molecular weight of 782.02 g/mol. Its IUPAC name is N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID118459286
Molecular FormulaC58H39NS
Molecular Weight782.02 g/mol
Exact Mass781.28
IUPAC NameN-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(-c6cccc7ccccc67)c(-c6cccc7ccccc67)sc5c4)cc3)cc2)cc1
InChIInChI=1S/C58H39NS/c1-3-13-40(14-4-1)42-25-32-48(33-26-42)59(49-34-27-43(28-35-49)41-15-5-2-6-16-41)50-36-29-44(30-37-50)47-31-38-55-56(39-47)60-58(54-24-12-20-46-18-8-10-22-52(46)54)57(55)53-23-11-19-45-17-7-9-21-51(45)53/h1-39H
InChIKeyWZPAVXRIODHRMW-UHFFFAOYSA-N
XLogP17.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.02
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline
CID 90336189
4-(2,3-dinaphthalen-2-yl-1-benzothiophen-6-yl)-N,N-diphenylaniline
CID 118459294
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
N-[4-[3-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 89279787
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 135277607
N-[4-(2-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159692895

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 118459286) is N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(-c6cccc7ccccc67)c(-c6cccc7ccccc67)sc5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is WZPAVXRIODHRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NS/c1-3-13-40(14-4-1)42-25-32-48(33-26-42)59(49-34-27-43(28-35-49)41-15-5-2-6-16-41)50-36-29-44(30-37-50)47-31-38-55-56(39-47)60-58(54-24-12-20-46-18-8-10-22-52(46)54)57(55)53-23-11-19-45-17-7-9-21-51(45)53/h1-39H.
What are the key properties of N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 782.02 g/mol, XLogP of 17.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dinaphthalen-1-yl-1-benzothiophen-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118459286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).