N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine

C50H33NS — CID 167396397

IUPACN-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2ccc3c(c2)sc2c(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4ccc5ccccc5c4)cccc23)cc1
InChIInChI=1S/C50H33NS/c1-2-9-34(10-3-1)43-26-30-46-47-15-8-16-48(50(47)52-49(46)33-43)51(45-29-25-36-12-5-7-14-41(36)32-45)44-27-23-38(24-28-44)37-17-19-39(20-18-37)42-22-21-35-11-4-6-13-40(35)31-42/h1-33H
InChIKeyDMPOJYMTIQCPHT-UHFFFAOYSA-N
MW679.89 g/mol
LogP14.83
Rot. Bonds6

About N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine

N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine (PubChem CID 167396397) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine
PubChem CID167396397
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC NameN-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2ccc3c(c2)sc2c(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4ccc5ccccc5c4)cccc23)cc1
InChIInChI=1S/C50H33NS/c1-2-9-34(10-3-1)43-26-30-46-47-15-8-16-48(50(47)52-49(46)33-43)51(45-29-25-36-12-5-7-14-41(36)32-45)44-27-23-38(24-28-44)37-17-19-39(20-18-37)42-22-21-35-11-4-6-13-40(35)31-42/h1-33H
InChIKeyDMPOJYMTIQCPHT-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.89
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzothiophen-3-yl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 166566346
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
7-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167397690
N-[2-[2-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167086407
N-(4-naphthalen-2-ylphenyl)-2-[2-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(6-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 167087066
N-(4-dibenzothiophen-3-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine;N-(4-dibenzothiophen-3-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N-(4-dibenzothiophen-3-yl-3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-(4-dibenzothiophen-3-yl-3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 161045899
N-(4-phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-4-amine
CID 167396822
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-[2-[2-(N-dibenzothiophen-4-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167086859
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 167086408
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256598
N-dibenzothiophen-4-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 171435177

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine?
The IUPAC name of N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine (CID 167396397) is N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine is c1ccc(-c2ccc3c(c2)sc2c(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4ccc5ccccc5c4)cccc23)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine?
The InChIKey is DMPOJYMTIQCPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-2-9-34(10-3-1)43-26-30-46-47-15-8-16-48(50(47)52-49(46)33-43)51(45-29-25-36-12-5-7-14-41(36)32-45)44-27-23-38(24-28-44)37-17-19-39(20-18-37)42-22-21-35-11-4-6-13-40(35)31-42/h1-33H.
What are the key properties of N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine?
N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine has a molecular weight of 679.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 167396397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).