N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine

C50H32N2O — CID 164790835

IUPACN-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5cc6ccccc6c6ccccc56)c5cccc6oc7ccccc7c56)cc4)c32)cc1
InChIInChI=1S/C50H32N2O/c1-2-15-35(16-3-1)52-44-24-10-8-20-41(44)42-23-12-22-38(50(42)52)33-28-30-36(31-29-33)51(45-25-13-27-48-49(45)43-21-9-11-26-47(43)53-48)46-32-34-14-4-5-17-37(34)39-18-6-7-19-40(39)46/h1-32H
InChIKeyGLUJLTPQZOXQCT-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.13
Rot. Bonds5

About N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine

N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine (PubChem CID 164790835) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
PubChem CID164790835
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC NameN-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5cc6ccccc6c6ccccc56)c5cccc6oc7ccccc7c56)cc4)c32)cc1
InChIInChI=1S/C50H32N2O/c1-2-15-35(16-3-1)52-44-24-10-8-20-41(44)42-23-12-22-38(50(42)52)33-28-30-36(31-29-33)51(45-25-13-27-48-49(45)43-21-9-11-26-47(43)53-48)46-32-34-14-4-5-17-37(34)39-18-6-7-19-40(39)46/h1-32H
InChIKeyGLUJLTPQZOXQCT-UHFFFAOYSA-N
XLogP14.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 164790713
N-dibenzofuran-1-yl-N-[4-[3-(1-phenylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-1-amine;4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(1-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 160961831
N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-2-amine;N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
CID 165064934
N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 176820900
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298481
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298887
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-9-amine
CID 155398236
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298828
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503040
bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 165016258
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 164790790
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]phenanthren-9-amine
CID 155398674

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine (CID 164790835) is N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine is c1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5cc6ccccc6c6ccccc56)c5cccc6oc7ccccc7c56)cc4)c32)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is GLUJLTPQZOXQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-2-15-35(16-3-1)52-44-24-10-8-20-41(44)42-23-12-22-38(50(42)52)33-28-30-36(31-29-33)51(45-25-13-27-48-49(45)43-21-9-11-26-47(43)53-48)46-32-34-14-4-5-17-37(34)39-18-6-7-19-40(39)46/h1-32H.
What are the key properties of N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine?
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 676.82 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 164790835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).