N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine

C46H29NO — CID 170130376

IUPACN-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccc4c5ccccc5ccc4c3c2)c1
InChIInChI=1S/C46H29NO/c1-3-14-37-30(9-1)11-8-17-39(37)33-12-7-13-34(27-33)47(36-23-26-43-42-16-5-6-18-45(42)48-46(43)29-36)35-22-19-32-21-24-40-38-15-4-2-10-31(38)20-25-41(40)44(32)28-35/h1-29H
InChIKeyPBOHLRUIQUUGCZ-UHFFFAOYSA-N
MW611.74 g/mol
LogP13.34
Rot. Bonds4

About N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine

N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 170130376) has the molecular formula C46H29NO and a molecular weight of 611.74 g/mol. Its IUPAC name is N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
PubChem CID170130376
Molecular FormulaC46H29NO
Molecular Weight611.74 g/mol
Exact Mass611.22
IUPAC NameN-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccc4c5ccccc5ccc4c3c2)c1
InChIInChI=1S/C46H29NO/c1-3-14-37-30(9-1)11-8-17-39(37)33-12-7-13-34(27-33)47(36-23-26-43-42-16-5-6-18-45(42)48-46(43)29-36)35-22-19-32-21-24-40-38-15-4-2-10-31(38)20-25-41(40)44(32)28-35/h1-29H
InChIKeyPBOHLRUIQUUGCZ-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.74
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137135
N-chrysen-3-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137454
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137527
3-dibenzofuran-1-yl-N-(3-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810276
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156577441
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 170535097
3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]aniline
CID 176810726
N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 168846117

Frequently Asked Questions

What is the IUPAC name of N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine (CID 170130376) is N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine is c1cc(-c2cccc3ccccc23)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccc4c5ccccc5ccc4c3c2)c1.
What is the InChIKey of N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The InChIKey is PBOHLRUIQUUGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO/c1-3-14-37-30(9-1)11-8-17-39(37)33-12-7-13-34(27-33)47(36-23-26-43-42-16-5-6-18-45(42)48-46(43)29-36)35-22-19-32-21-24-40-38-15-4-2-10-31(38)20-25-41(40)44(32)28-35/h1-29H.
What are the key properties of N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine has a molecular weight of 611.74 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 170130376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).