5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine

C42H32N2O — CID 131994165

IUPAC5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine
SMILESC1=C(c2ccc3c(c2)oc2ccccc23)CC(N(c2ccccc2)c2ccccc2)C=C1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H32N2O/c1-5-15-33(16-6-1)43(34-17-7-2-8-18-34)37-27-32(31-25-26-40-39-23-13-14-24-41(39)45-42(40)29-31)28-38(30-37)44(35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-27,29-30,38H,28H2
InChIKeyRTEQMDDJVXWAFS-UHFFFAOYSA-N
MW580.73 g/mol
LogP11.30
Rot. Bonds7

About 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine

5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine (PubChem CID 131994165) has the molecular formula C42H32N2O and a molecular weight of 580.73 g/mol. Its IUPAC name is 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine.

Molecular Properties

Compound Name5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine
PubChem CID131994165
Molecular FormulaC42H32N2O
Molecular Weight580.73 g/mol
Exact Mass580.25
IUPAC Name5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine
SMILESC1=C(c2ccc3c(c2)oc2ccccc23)CC(N(c2ccccc2)c2ccccc2)C=C1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H32N2O/c1-5-15-33(16-6-1)43(34-17-7-2-8-18-34)37-27-32(31-25-26-40-39-23-13-14-24-41(39)45-42(40)29-31)28-38(30-37)44(35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-27,29-30,38H,28H2
InChIKeyRTEQMDDJVXWAFS-UHFFFAOYSA-N
XLogP11.30
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
4-[4-(N-[4-(8-dibenzofuran-3-yldibenzothiophen-2-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 90076231
N-[4-(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-6-yl)phenyl]-N,4-diphenylaniline
CID 138651647
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine?
The IUPAC name of 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine (CID 131994165) is 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine.
What is the SMILES notation for 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine?
The canonical SMILES for 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine is C1=C(c2ccc3c(c2)oc2ccccc23)CC(N(c2ccccc2)c2ccccc2)C=C1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine?
The InChIKey is RTEQMDDJVXWAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2O/c1-5-15-33(16-6-1)43(34-17-7-2-8-18-34)37-27-32(31-25-26-40-39-23-13-14-24-41(39)45-42(40)29-31)28-38(30-37)44(35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-27,29-30,38H,28H2.
What are the key properties of 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine?
5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine has a molecular weight of 580.73 g/mol, XLogP of 11.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-3-yl-1-N,1-N,3-N,3-N-tetraphenylcyclohexa-1,5-diene-1,3-diamine is sourced from PubChem (CID 131994165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).