4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline

C42H29NO — CID 130208140

IUPAC4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c3c2)cc1
InChIInChI=1S/C42H29NO/c1-5-13-30(14-6-1)34-28-38(32-15-7-2-8-16-32)42-40(29-34)39-27-33(23-26-41(39)44-42)31-21-24-37(25-22-31)43(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-29H
InChIKeyMNPYNESNLFKDRX-UHFFFAOYSA-N
MW563.70 g/mol
LogP12.06
Rot. Bonds6

About 4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline

4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline (PubChem CID 130208140) has the molecular formula C42H29NO and a molecular weight of 563.70 g/mol. Its IUPAC name is 4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
PubChem CID130208140
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC Name4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c3c2)cc1
InChIInChI=1S/C42H29NO/c1-5-13-30(14-6-1)34-28-38(32-15-7-2-8-16-32)42-40(29-34)39-27-33(23-26-41(39)44-42)31-21-24-37(25-22-31)43(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-29H
InChIKeyMNPYNESNLFKDRX-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

4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene
CID 144810564
N-[4-(4-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-N,4-diphenylaniline
CID 140919148
N,4-diphenyl-N-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402859
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
N,N-diphenyl-4-(5-triphenylen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)aniline
CID 170535871
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
4-(2-naphthalen-2-yldibenzofuran-4-yl)-N,N-diphenylaniline;2-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 161024145
9,9-dimethyl-N,7-diphenyl-N-[4-[4-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]fluoren-2-amine
CID 67964222
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168805047
4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline
CID 164934450

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline (CID 130208140) is 4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline is c1ccc(-c2cc(-c3ccccc3)c3oc4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c3c2)cc1.
What is the InChIKey of 4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline?
The InChIKey is MNPYNESNLFKDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-5-13-30(14-6-1)34-28-38(32-15-7-2-8-16-32)42-40(29-34)39-27-33(23-26-41(39)44-42)31-21-24-37(25-22-31)43(35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-29H.
What are the key properties of 4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline?
4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline 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-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 130208140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).