N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine

C68H45NO — CID 159997769

IUPACN-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)ccc3c2-c2ccccc2)cc1
InChIInChI=1S/C68H45NO/c1-5-18-49(19-6-1)65-61-41-35-55(44-62(61)66(50-20-7-2-8-21-50)68(52-24-11-4-12-25-52)67(65)51-22-9-3-10-23-51)48-33-38-57(39-34-48)69(58-40-42-60-59-27-15-16-28-63(59)70-64(60)45-58)56-36-31-47(32-37-56)54-30-29-46-17-13-14-26-53(46)43-54/h1-45H
InChIKeyIZENMWIPAWCSTP-UHFFFAOYSA-N
MW892.11 g/mol
LogP19.36
Rot. Bonds9

About N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine

N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine (PubChem CID 159997769) has the molecular formula C68H45NO and a molecular weight of 892.11 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
PubChem CID159997769
Molecular FormulaC68H45NO
Molecular Weight892.11 g/mol
Exact Mass891.35
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)ccc3c2-c2ccccc2)cc1
InChIInChI=1S/C68H45NO/c1-5-18-49(19-6-1)65-61-41-35-55(44-62(61)66(50-20-7-2-8-21-50)68(52-24-11-4-12-25-52)67(65)51-22-9-3-10-23-51)48-33-38-57(39-34-48)69(58-40-42-60-59-27-15-16-28-63(59)70-64(60)45-58)56-36-31-47(32-37-56)54-30-29-46-17-13-14-26-53(46)43-54/h1-45H
InChIKeyIZENMWIPAWCSTP-UHFFFAOYSA-N
XLogP19.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.11
LogP ≤ 519.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 169064275
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 169061751
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 166566331
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254502
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine (CID 159997769) is N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3cc(-c4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)ccc3c2-c2ccccc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is IZENMWIPAWCSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NO/c1-5-18-49(19-6-1)65-61-41-35-55(44-62(61)66(50-20-7-2-8-21-50)68(52-24-11-4-12-25-52)67(65)51-22-9-3-10-23-51)48-33-38-57(39-34-48)69(58-40-42-60-59-27-15-16-28-63(59)70-64(60)45-58)56-36-31-47(32-37-56)54-30-29-46-17-13-14-26-53(46)43-54/h1-45H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine?
N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 892.11 g/mol, XLogP of 19.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 159997769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).