N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline

C48H33NO — CID 135277320

IUPACN,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cc6oc7ccccc7c6cc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-4-12-34(13-5-1)36-24-28-41(29-25-36)49(40-16-8-3-9-17-40)42-30-26-37(27-31-42)35-20-22-39(23-21-35)45-33-48-46(43-18-10-11-19-47(43)50-48)32-44(45)38-14-6-2-7-15-38/h1-33H
InChIKeyPYJHTCFDDBUHOC-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

About N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline

N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline (PubChem CID 135277320) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline
PubChem CID135277320
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC NameN,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cc6oc7ccccc7c6cc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-4-12-34(13-5-1)36-24-28-41(29-25-36)49(40-16-8-3-9-17-40)42-30-26-37(27-31-42)35-20-22-39(23-21-35)45-33-48-46(43-18-10-11-19-47(43)50-48)32-44(45)38-14-6-2-7-15-38/h1-33H
InChIKeyPYJHTCFDDBUHOC-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 135277321
N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 135277270
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
2,3-diphenyldibenzofuran
CID 12699263
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline (CID 135277320) is N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cc6oc7ccccc7c6cc5-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline?
The InChIKey is PYJHTCFDDBUHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-4-12-34(13-5-1)36-24-28-41(29-25-36)49(40-16-8-3-9-17-40)42-30-26-37(27-31-42)35-20-22-39(23-21-35)45-33-48-46(43-18-10-11-19-47(43)50-48)32-44(45)38-14-6-2-7-15-38/h1-33H.
What are the key properties of N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline?
N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline has a molecular weight of 639.80 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 135277320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).