N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine

C50H33NO — CID 168804958

IUPACN-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccc4c(ccc5ccccc54)c3)c2)cc1
InChIInChI=1S/C50H33NO/c1-3-11-34(12-4-1)38-16-9-17-42(31-38)51(43-28-29-45-40(32-43)22-21-37-15-7-8-18-44(37)45)41-26-23-35(24-27-41)39-25-30-49-48(33-39)47-20-10-19-46(50(47)52-49)36-13-5-2-6-14-36/h1-33H
InChIKeyMJDUIURXVVUTDF-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine

N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine (PubChem CID 168804958) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
PubChem CID168804958
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccc4c(ccc5ccccc54)c3)c2)cc1
InChIInChI=1S/C50H33NO/c1-3-11-34(12-4-1)38-16-9-17-42(31-38)51(43-28-29-45-40(32-43)22-21-37-15-7-8-18-44(37)45)41-26-23-35(24-27-41)39-25-30-49-48(33-39)47-20-10-19-46(50(47)52-49)36-13-5-2-6-14-36/h1-33H
InChIKeyMJDUIURXVVUTDF-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-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-2-amine
CID 168804810
N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 158862131
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805044
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804297
CID 174076533
CID 174076533
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805062
N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline
CID 142614641
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-7-(6-phenyldibenzofuran-2-yl)phenanthren-2-amine
CID 168804799

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine (CID 168804958) is N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccc4c(ccc5ccccc54)c3)c2)cc1.
What is the InChIKey of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The InChIKey is MJDUIURXVVUTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-11-34(12-4-1)38-16-9-17-42(31-38)51(43-28-29-45-40(32-43)22-21-37-15-7-8-18-44(37)45)41-26-23-35(24-27-41)39-25-30-49-48(33-39)47-20-10-19-46(50(47)52-49)36-13-5-2-6-14-36/h1-33H.
What are the key properties of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-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-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 168804958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).