N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine

C38H25NO — CID 167397588

IUPACN-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc3c(c2)oc2cccc(Nc4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c23)cc1
InChIInChI=1S/C38H25NO/c1-2-7-25(8-3-1)29-18-22-34-37(24-29)40-36-12-6-11-35(38(34)36)39-31-19-15-26(16-20-31)28-17-21-33-30(23-28)14-13-27-9-4-5-10-32(27)33/h1-24,39H
InChIKeyOLMWPMQWORBMQP-UHFFFAOYSA-N
MW511.62 g/mol
LogP10.97
Rot. Bonds4

About N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine

N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine (PubChem CID 167397588) has the molecular formula C38H25NO and a molecular weight of 511.62 g/mol. Its IUPAC name is N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine
PubChem CID167397588
Molecular FormulaC38H25NO
Molecular Weight511.62 g/mol
Exact Mass511.19
IUPAC NameN-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc3c(c2)oc2cccc(Nc4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c23)cc1
InChIInChI=1S/C38H25NO/c1-2-7-25(8-3-1)29-18-22-34-37(24-29)40-36-12-6-11-35(38(34)36)39-31-19-15-26(16-20-31)28-17-21-33-30(23-28)14-13-27-9-4-5-10-32(27)33/h1-24,39H
InChIKeyOLMWPMQWORBMQP-UHFFFAOYSA-N
XLogP10.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 510.97
H-Bond Donors ≤ 51
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-2-ylphenyl)dibenzofuran-1-amine
CID 159380478
N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163590855
2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797435
2-phenanthren-2-yl-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165084892
2-(7-phenanthren-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741783
N-(2,4-diphenylphenyl)dibenzofuran-1-amine
CID 176844480
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
CID 168759232
8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176759717
9-(4-chlorophenyl)phenanthrene;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163531648
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114269
N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-4-amine
CID 172544746

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine?
The IUPAC name of N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine (CID 167397588) is N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine?
The canonical SMILES for N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine is c1ccc(-c2ccc3c(c2)oc2cccc(Nc4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c23)cc1.
What is the InChIKey of N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine?
The InChIKey is OLMWPMQWORBMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NO/c1-2-7-25(8-3-1)29-18-22-34-37(24-29)40-36-12-6-11-35(38(34)36)39-31-19-15-26(16-20-31)28-17-21-33-30(23-28)14-13-27-9-4-5-10-32(27)33/h1-24,39H.
What are the key properties of N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine?
N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine has a molecular weight of 511.62 g/mol, XLogP of 10.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine is sourced from PubChem (CID 167397588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).