4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine

C68H45NS — CID 168848036

IUPAC4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3ccc(-c4cccc5ccccc45)c4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C68H45NS/c1-2-17-47(18-3-1)56-27-8-10-29-60(56)61-30-11-9-28-58(61)50-37-41-54(42-38-50)69(53-39-35-46(36-40-53)51-23-14-24-52(45-51)59-32-15-21-48-19-4-6-25-55(48)59)65-44-43-63(62-33-16-22-49-20-5-7-26-57(49)62)68-67(65)64-31-12-13-34-66(64)70-68/h1-45H
InChIKeyYLCDUKHDNUKKIH-UHFFFAOYSA-N
MW908.18 g/mol
LogP19.83
Rot. Bonds9

About 4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine

4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine (PubChem CID 168848036) has the molecular formula C68H45NS and a molecular weight of 908.18 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
PubChem CID168848036
Molecular FormulaC68H45NS
Molecular Weight908.18 g/mol
Exact Mass907.33
IUPAC Name4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3ccc(-c4cccc5ccccc45)c4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C68H45NS/c1-2-17-47(18-3-1)56-27-8-10-29-60(56)61-30-11-9-28-58(61)50-37-41-54(42-38-50)69(53-39-35-46(36-40-53)51-23-14-24-52(45-51)59-32-15-21-48-19-4-6-25-55(48)59)65-44-43-63(62-33-16-22-49-20-5-7-26-57(49)62)68-67(65)64-31-12-13-34-66(64)70-68/h1-45H
InChIKeyYLCDUKHDNUKKIH-UHFFFAOYSA-N
XLogP19.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.18
LogP ≤ 519.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168847673
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 168847741
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 168847842
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848106
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847833
N-phenanthren-3-yl-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176820527
4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744420
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 168847706
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847919
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-2-phenylaniline
CID 164831984
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline
CID 164831553

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine (CID 168848036) is 4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3ccc(-c4cccc5ccccc45)c4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine?
The InChIKey is YLCDUKHDNUKKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NS/c1-2-17-47(18-3-1)56-27-8-10-29-60(56)61-30-11-9-28-58(61)50-37-41-54(42-38-50)69(53-39-35-46(36-40-53)51-23-14-24-52(45-51)59-32-15-21-48-19-4-6-25-55(48)59)65-44-43-63(62-33-16-22-49-20-5-7-26-57(49)62)68-67(65)64-31-12-13-34-66(64)70-68/h1-45H.
What are the key properties of 4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine?
4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine has a molecular weight of 908.18 g/mol, XLogP of 19.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 168848036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).