N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine

C44H29NS — CID 174255832

IUPACN-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc3ccc(-c4ccc5ccc(N(c6ccccc6)c6cccc7sc8ccccc8c67)cc5c4)cc3c2)cc1
InChIInChI=1S/C44H29NS/c1-3-10-30(11-4-1)33-21-18-31-19-22-34(27-36(31)26-33)35-23-20-32-24-25-39(29-37(32)28-35)45(38-12-5-2-6-13-38)41-15-9-17-43-44(41)40-14-7-8-16-42(40)46-43/h1-29H
InChIKeyLEFPCXPSVPOHRP-UHFFFAOYSA-N
MW603.79 g/mol
LogP13.16
Rot. Bonds5

About N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine

N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine (PubChem CID 174255832) has the molecular formula C44H29NS and a molecular weight of 603.79 g/mol. Its IUPAC name is N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
PubChem CID174255832
Molecular FormulaC44H29NS
Molecular Weight603.79 g/mol
Exact Mass603.20
IUPAC NameN-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc3ccc(-c4ccc5ccc(N(c6ccccc6)c6cccc7sc8ccccc8c67)cc5c4)cc3c2)cc1
InChIInChI=1S/C44H29NS/c1-3-10-30(11-4-1)33-21-18-31-19-22-34(27-36(31)26-33)35-23-20-32-24-25-39(29-37(32)28-35)45(38-12-5-2-6-13-38)41-15-9-17-43-44(41)40-14-7-8-16-42(40)46-43/h1-29H
InChIKeyLEFPCXPSVPOHRP-UHFFFAOYSA-N
XLogP13.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 167086502
N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170039707
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324324
N-chrysen-2-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170137727
N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170039057
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 167183232
N-[4-(2-phenylphenyl)phenyl]-N-[3-[2-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 164744330
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
6-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-[3-[3-[N-naphthalen-1-yl-3-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-2-amine
CID 167086761
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 166055346

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine?
The IUPAC name of N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine (CID 174255832) is N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine.
What is the SMILES notation for N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine?
The canonical SMILES for N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine is c1ccc(-c2ccc3ccc(-c4ccc5ccc(N(c6ccccc6)c6cccc7sc8ccccc8c67)cc5c4)cc3c2)cc1.
What is the InChIKey of N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine?
The InChIKey is LEFPCXPSVPOHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NS/c1-3-10-30(11-4-1)33-21-18-31-19-22-34(27-36(31)26-33)35-23-20-32-24-25-39(29-37(32)28-35)45(38-12-5-2-6-13-38)41-15-9-17-43-44(41)40-14-7-8-16-42(40)46-43/h1-29H.
What are the key properties of N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine?
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine has a molecular weight of 603.79 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine is sourced from PubChem (CID 174255832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).