N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine

C42H27NO — CID 170137135

IUPACN-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5c6ccccc6ccc5c4c3)c2)cc1
InChIInChI=1S/C42H27NO/c1-2-9-28(10-3-1)31-12-8-13-32(25-31)43(34-21-24-39-38-15-6-7-16-41(38)44-42(39)27-34)33-20-17-30-19-22-36-35-14-5-4-11-29(35)18-23-37(36)40(30)26-33/h1-27H
InChIKeyZXGIDKKUOGYZNJ-UHFFFAOYSA-N
MW561.68 g/mol
LogP12.18
Rot. Bonds4

About N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine

N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine (PubChem CID 170137135) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
PubChem CID170137135
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC NameN-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5c6ccccc6ccc5c4c3)c2)cc1
InChIInChI=1S/C42H27NO/c1-2-9-28(10-3-1)31-12-8-13-32(25-31)43(34-21-24-39-38-15-6-7-16-41(38)44-42(39)27-34)33-20-17-30-19-22-36-35-14-5-4-11-29(35)18-23-37(36)40(30)26-33/h1-27H
InChIKeyZXGIDKKUOGYZNJ-UHFFFAOYSA-N
XLogP12.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 512.18
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-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137527
N-chrysen-3-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170131049
N-chrysen-3-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 170130376
N-dibenzofuran-3-yl-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743078
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
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-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine
CID 174293796
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-phenyldibenzofuran-3-amine
CID 167087562

Frequently Asked Questions

What is the IUPAC name of N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine (CID 170137135) is N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccc5c6ccccc6ccc5c4c3)c2)cc1.
What is the InChIKey of N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is ZXGIDKKUOGYZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-2-9-28(10-3-1)31-12-8-13-32(25-31)43(34-21-24-39-38-15-6-7-16-41(38)44-42(39)27-34)33-20-17-30-19-22-36-35-14-5-4-11-29(35)18-23-37(36)40(30)26-33/h1-27H.
What are the key properties of N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine?
N-chrysen-3-yl-N-(3-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 561.68 g/mol, XLogP of 12.18, 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-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 170137135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).