N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine

C50H33NO — CID 170665807

IUPACN-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3-c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-14-34(15-4-1)35-26-29-39(30-27-35)51(47-32-37-18-7-8-19-40(37)42-20-9-10-21-43(42)47)46-24-13-23-41(36-16-5-2-6-17-36)50(46)38-28-31-45-44-22-11-12-25-48(44)52-49(45)33-38/h1-33H
InChIKeyLEEYFCQUSLDRFU-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine

N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine (PubChem CID 170665807) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
PubChem CID170665807
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3-c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-3-14-34(15-4-1)35-26-29-39(30-27-35)51(47-32-37-18-7-8-19-40(37)42-20-9-10-21-43(42)47)46-24-13-23-41(36-16-5-2-6-17-36)50(46)38-28-31-45-44-22-11-12-25-48(44)52-49(45)33-38/h1-33H
InChIKeyLEEYFCQUSLDRFU-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-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274744
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]phenanthren-9-amine
CID 170133817
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170133778
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-9-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 177274561
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-[4-(3-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 170133722
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274685
N-[2-dibenzofuran-3-yl-3-(4-phenylphenyl)phenyl]-N-(3,5-diphenylphenyl)-4-phenylnaphthalen-1-amine
CID 170665817
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)naphthalen-1-yl]phenyl]phenanthren-9-amine
CID 170133721
2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 177274487
N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274624
N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274970

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine (CID 170665807) is N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3-c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine?
The InChIKey is LEEYFCQUSLDRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-3-14-34(15-4-1)35-26-29-39(30-27-35)51(47-32-37-18-7-8-19-40(37)42-20-9-10-21-43(42)47)46-24-13-23-41(36-16-5-2-6-17-36)50(46)38-28-31-45-44-22-11-12-25-48(44)52-49(45)33-38/h1-33H.
What are the key properties of N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine?
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)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-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 170665807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).