N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

C42H29NO — CID 118405736

IUPACN-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C42H29NO/c1-3-9-30(10-4-1)32-15-17-33(18-16-32)35-21-25-37(26-22-35)43(36-23-19-34(20-24-36)31-11-5-2-6-12-31)38-27-28-42-40(29-38)39-13-7-8-14-41(39)44-42/h1-29H
InChIKeyHKDIBUXHCCFBKU-UHFFFAOYSA-N
MW563.70 g/mol
LogP12.06
Rot. Bonds6

About N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 118405736) has the molecular formula C42H29NO and a molecular weight of 563.70 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID118405736
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC NameN-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C42H29NO/c1-3-9-30(10-4-1)32-15-17-33(18-16-32)35-21-25-37(26-22-35)43(36-23-19-34(20-24-36)31-11-5-2-6-12-31)38-27-28-42-40(29-38)39-13-7-8-14-41(39)44-42/h1-29H
InChIKeyHKDIBUXHCCFBKU-UHFFFAOYSA-N
XLogP12.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
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
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-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
N-(4-chlorophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 142730139
N-(4-bromophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118632283
N,N-diphenyldibenzofuran-2-amine
CID 58038469
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 118405736) is N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is HKDIBUXHCCFBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-3-9-30(10-4-1)32-15-17-33(18-16-32)35-21-25-37(26-22-35)43(36-23-19-34(20-24-36)31-11-5-2-6-12-31)38-27-28-42-40(29-38)39-13-7-8-14-41(39)44-42/h1-29H.
What are the key properties of N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine has a molecular weight of 563.70 g/mol, XLogP of 12.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 118405736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).