4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine

C42H29NO — CID 135277582

IUPAC4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(oc5ccccc54)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H29NO/c1-4-12-30(13-5-1)32-20-24-35(25-21-32)43(36-26-22-33(23-27-36)31-14-6-2-7-15-31)39-29-28-38-37-18-10-11-19-40(37)44-42(38)41(39)34-16-8-3-9-17-34/h1-29H
InChIKeyHJJOHLMVRHOEPA-UHFFFAOYSA-N
MW563.70 g/mol
LogP12.06
Rot. Bonds6

About 4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine

4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 135277582) has the molecular formula C42H29NO and a molecular weight of 563.70 g/mol. Its IUPAC name is 4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID135277582
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC Name4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(oc5ccccc54)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H29NO/c1-4-12-30(13-5-1)32-20-24-35(25-21-32)43(36-26-22-33(23-27-36)31-14-6-2-7-15-31)39-29-28-38-37-18-10-11-19-40(37)44-42(38)41(39)34-16-8-3-9-17-34/h1-29H
InChIKeyHJJOHLMVRHOEPA-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

N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277344
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 135277386
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine;N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline;N-phenyl-N,4-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 160729706
N-(4-dibenzofuran-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675432
4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 157259668
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 135277346
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-3-amine
CID 176609874
4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N,4-diphenylaniline;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine;4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 160597772
16-phenyl-N,N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine
CID 171433561
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine
CID 171433536

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine (CID 135277582) is 4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(oc5ccccc54)c3-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is HJJOHLMVRHOEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-4-12-30(13-5-1)32-20-24-35(25-21-32)43(36-26-22-33(23-27-36)31-14-6-2-7-15-31)39-29-28-38-37-18-10-11-19-40(37)44-42(38)41(39)34-16-8-3-9-17-34/h1-29H.
What are the key properties of 4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-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 4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 135277582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).