N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine

C32H21NO — CID 118027817

IUPACN-phenanthren-2-yl-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(Nc4ccc5c(ccc6ccccc65)c4)cccc23)cc1
InChIInChI=1S/C32H21NO/c1-2-8-21(9-3-1)27-12-6-13-28-29-14-7-15-30(32(29)34-31(27)28)33-24-18-19-26-23(20-24)17-16-22-10-4-5-11-25(22)26/h1-20,33H
InChIKeyPPGUNLHHVOHXJH-UHFFFAOYSA-N
MW435.53 g/mol
LogP9.30
Rot. Bonds3

About N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine

N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine (PubChem CID 118027817) has the molecular formula C32H21NO and a molecular weight of 435.53 g/mol. Its IUPAC name is N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-6-phenyldibenzofuran-4-amine
PubChem CID118027817
Molecular FormulaC32H21NO
Molecular Weight435.53 g/mol
Exact Mass435.16
IUPAC NameN-phenanthren-2-yl-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(Nc4ccc5c(ccc6ccccc65)c4)cccc23)cc1
InChIInChI=1S/C32H21NO/c1-2-8-21(9-3-1)27-12-6-13-28-29-14-7-15-30(32(29)34-31(27)28)33-24-18-19-26-23(20-24)17-16-22-10-4-5-11-25(22)26/h1-20,33H
InChIKeyPPGUNLHHVOHXJH-UHFFFAOYSA-N
XLogP9.30
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 59.30
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-naphthalen-1-ylphenanthren-2-amine
CID 139983977
6-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-4-amine
CID 170320152
N-(4-dibenzofuran-4-ylphenyl)-4-phenanthren-2-ylaniline
CID 139544912
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 126561028
N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 166647190
N-(3-methylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 126559839
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-2-amine
CID 168810031
2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 168764813
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121842
CID 123964335
CID 123964335
N-phenylphenanthren-2-amine
CID 23175030

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine?
The IUPAC name of N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine (CID 118027817) is N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine?
The canonical SMILES for N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine is c1ccc(-c2cccc3c2oc2c(Nc4ccc5c(ccc6ccccc65)c4)cccc23)cc1.
What is the InChIKey of N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine?
The InChIKey is PPGUNLHHVOHXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NO/c1-2-8-21(9-3-1)27-12-6-13-28-29-14-7-15-30(32(29)34-31(27)28)33-24-18-19-26-23(20-24)17-16-22-10-4-5-11-25(22)26/h1-20,33H.
What are the key properties of N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine?
N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine has a molecular weight of 435.53 g/mol, XLogP of 9.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-yl-6-phenyldibenzofuran-4-amine is sourced from PubChem (CID 118027817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).