N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine

C50H33NO — CID 170665788

IUPACN-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3cccc(-c4cccc5c4oc4ccccc45)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-13-34(14-4-1)35-27-30-39(31-28-35)51(40-32-29-37-26-25-36-15-7-8-18-41(36)46(37)33-40)47-23-12-20-43(49(47)38-16-5-2-6-17-38)45-22-11-21-44-42-19-9-10-24-48(42)52-50(44)45/h1-33H
InChIKeyANMQNXANOWXAIH-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine

N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine (PubChem CID 170665788) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine
PubChem CID170665788
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3cccc(-c4cccc5c4oc4ccccc45)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-13-34(14-4-1)35-27-30-39(31-28-35)51(40-32-29-37-26-25-36-15-7-8-18-41(36)46(37)33-40)47-23-12-20-43(49(47)38-16-5-2-6-17-38)45-22-11-21-44-42-19-9-10-24-48(42)52-50(44)45/h1-33H
InChIKeyANMQNXANOWXAIH-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
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-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821403
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396678
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170666084
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 174285036
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
CID 171399261
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 164832167
N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 168789860
N-[4-(2-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenanthren-9-amine
CID 170133970
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-4-amine
CID 135271698
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
CID 168809708

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine?
The IUPAC name of N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine (CID 170665788) is N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine?
The canonical SMILES for N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine is c1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3cccc(-c4cccc5c4oc4ccccc45)c3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine?
The InChIKey is ANMQNXANOWXAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-13-34(14-4-1)35-27-30-39(31-28-35)51(40-32-29-37-26-25-36-15-7-8-18-41(36)46(37)33-40)47-23-12-20-43(49(47)38-16-5-2-6-17-38)45-22-11-21-44-42-19-9-10-24-48(42)52-50(44)45/h1-33H.
What are the key properties of N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine?
N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)phenanthren-3-amine is sourced from PubChem (CID 170665788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).