N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine

C50H33NO — CID 88567900

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-10-34(11-3-1)35-18-20-36(21-19-35)37-22-27-41(28-23-37)51(48-33-40-12-4-5-13-43(40)44-14-6-7-15-45(44)48)42-29-24-38(25-30-42)39-26-31-50-47(32-39)46-16-8-9-17-49(46)52-50/h1-33H
InChIKeyGOYOHFZBPODHBV-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 88567900) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
PubChem CID88567900
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-10-34(11-3-1)35-18-20-36(21-19-35)37-22-27-41(28-23-37)51(48-33-40-12-4-5-13-43(40)44-14-6-7-15-45(44)48)42-29-24-38(25-30-42)39-26-31-50-47(32-39)46-16-8-9-17-49(46)52-50/h1-33H
InChIKeyGOYOHFZBPODHBV-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-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-9-amine
CID 169157836
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-dibenzofuran-2-yl-N-(7-phenylphenanthren-9-yl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779179
N-phenyl-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-amine
CID 170779008
N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-15-amine
CID 170779350
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine
CID 170133721
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenanthren-9-amine
CID 164843697
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-9-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 177274561
N-phenanthren-9-yl-N,1-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177280873
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(1-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134327
5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604922

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine (CID 88567900) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cc5ccccc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is GOYOHFZBPODHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-10-34(11-3-1)35-18-20-36(21-19-35)37-22-27-41(28-23-37)51(48-33-40-12-4-5-13-43(40)44-14-6-7-15-45(44)48)42-29-24-38(25-30-42)39-26-31-50-47(32-39)46-16-8-9-17-49(46)52-50/h1-33H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-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-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 88567900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).