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

C72H48N2S — CID 167086388

IUPAC4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccccc4-c4cccc(N(c5ccc6ccccc6c5)c5ccc(-c6cccc7c6sc6ccccc67)c6ccccc56)c4)cc3)cc2)cc1
InChIInChI=1S/C72H48N2S/c1-2-16-49(17-3-1)52-32-34-53(35-33-52)54-36-40-58(41-37-54)73(60-42-38-50-18-4-6-20-55(50)46-60)69-30-12-10-24-62(69)57-22-14-23-59(48-57)74(61-43-39-51-19-5-7-21-56(51)47-61)70-45-44-64(63-25-8-9-26-65(63)70)67-28-15-29-68-66-27-11-13-31-71(66)75-72(67)68/h1-48H
InChIKeyHFHFLHGAYSOTOC-UHFFFAOYSA-N
MW973.26 g/mol
LogP21.12
Rot. Bonds10

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

4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine (PubChem CID 167086388) has the molecular formula C72H48N2S and a molecular weight of 973.26 g/mol. Its IUPAC name is 4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine
PubChem CID167086388
Molecular FormulaC72H48N2S
Molecular Weight973.26 g/mol
Exact Mass972.35
IUPAC Name4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccccc4-c4cccc(N(c5ccc6ccccc6c5)c5ccc(-c6cccc7c6sc6ccccc67)c6ccccc56)c4)cc3)cc2)cc1
InChIInChI=1S/C72H48N2S/c1-2-16-49(17-3-1)52-32-34-53(35-33-52)54-36-40-58(41-37-54)73(60-42-38-50-18-4-6-20-55(50)46-60)69-30-12-10-24-62(69)57-22-14-23-59(48-57)74(61-43-39-51-19-5-7-21-56(51)47-61)70-45-44-64(63-25-8-9-26-65(63)70)67-28-15-29-68-66-27-11-13-31-71(66)75-72(67)68/h1-48H
InChIKeyHFHFLHGAYSOTOC-UHFFFAOYSA-N
XLogP21.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.26
LogP ≤ 521.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of 4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine (CID 167086388) is 4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for 4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for 4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccccc4-c4cccc(N(c5ccc6ccccc6c5)c5ccc(-c6cccc7c6sc6ccccc67)c6ccccc56)c4)cc3)cc2)cc1.
What is the InChIKey of 4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine?
The InChIKey is HFHFLHGAYSOTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2S/c1-2-16-49(17-3-1)52-32-34-53(35-33-52)54-36-40-58(41-37-54)73(60-42-38-50-18-4-6-20-55(50)46-60)69-30-12-10-24-62(69)57-22-14-23-59(48-57)74(61-43-39-51-19-5-7-21-56(51)47-61)70-45-44-64(63-25-8-9-26-65(63)70)67-28-15-29-68-66-27-11-13-31-71(66)75-72(67)68/h1-48H.
What are the key properties of 4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine?
4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine has a molecular weight of 973.26 g/mol, XLogP of 21.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-4-yl-N-naphthalen-2-yl-N-[3-[2-[N-naphthalen-2-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 167086388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).