N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine

C46H35NO — CID 130241398

IUPACN-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESC1=CCC(c2cccc3c2oc2c(C4=CC(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)CC=C4)cccc23)C=C1
InChIInChI=1S/C46H35NO/c1-3-13-32(14-4-1)33-27-29-37(30-28-33)47(44-26-10-18-34-17-7-8-21-39(34)44)38-20-9-19-36(31-38)41-23-12-25-43-42-24-11-22-40(45(42)48-46(41)43)35-15-5-2-6-16-35/h1-15,17-19,21-31,35,38H,16,20H2
InChIKeyFELHSNPKBXUUDL-UHFFFAOYSA-N
MW617.79 g/mol
LogP12.56
Rot. Bonds6

About N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine

N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 130241398) has the molecular formula C46H35NO and a molecular weight of 617.79 g/mol. Its IUPAC name is N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID130241398
Molecular FormulaC46H35NO
Molecular Weight617.79 g/mol
Exact Mass617.27
IUPAC NameN-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESC1=CCC(c2cccc3c2oc2c(C4=CC(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)CC=C4)cccc23)C=C1
InChIInChI=1S/C46H35NO/c1-3-13-32(14-4-1)33-27-29-37(30-28-33)47(44-26-10-18-34-17-7-8-21-39(34)44)38-20-9-19-36(31-38)41-23-12-25-43-42-24-11-22-40(45(42)48-46(41)43)35-15-5-2-6-16-35/h1-15,17-19,21-31,35,38H,16,20H2
InChIKeyFELHSNPKBXUUDL-UHFFFAOYSA-N
XLogP12.56
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.79
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
CID 175970496
2-cyclohexa-2,4-dien-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-4-phenylaniline
CID 174275550
3-phenyl-N-[4-(10-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-(3-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 167143567
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)naphthalen-1-amine
CID 135299557
N-(4,4a-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine
CID 89065092
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 162090302
6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine
CID 168855510
2-cyclohexa-2,4-dien-1-yl-4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167183078
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
CID 167236501
1-N-(4,4a-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 155373593
2-cyclohexa-2,4-dien-1-yl-4-(6-phenanthren-9-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 142343130

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 130241398) is N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine is C1=CCC(c2cccc3c2oc2c(C4=CC(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)CC=C4)cccc23)C=C1.
What is the InChIKey of N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is FELHSNPKBXUUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NO/c1-3-13-32(14-4-1)33-27-29-37(30-28-33)47(44-26-10-18-34-17-7-8-21-39(34)44)38-20-9-19-36(31-38)41-23-12-25-43-42-24-11-22-40(45(42)48-46(41)43)35-15-5-2-6-16-35/h1-15,17-19,21-31,35,38H,16,20H2.
What are the key properties of N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine?
N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 617.79 g/mol, XLogP of 12.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 130241398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).