N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine

C50H32N2O — CID 164790713

IUPACN-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5cc6ccccc6c6ccccc56)c5cccc6oc7ccccc7c56)c4)c32)cc1
InChIInChI=1S/C50H32N2O/c1-2-17-35(18-3-1)52-44-27-10-8-23-41(44)42-26-13-25-38(50(42)52)33-16-12-19-36(31-33)51(45-28-14-30-48-49(45)43-24-9-11-29-47(43)53-48)46-32-34-15-4-5-20-37(34)39-21-6-7-22-40(39)46/h1-32H
InChIKeyAGURZXPDZHQIMX-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.13
Rot. Bonds5

About N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine

N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine (PubChem CID 164790713) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
PubChem CID164790713
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC NameN-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5cc6ccccc6c6ccccc56)c5cccc6oc7ccccc7c56)c4)c32)cc1
InChIInChI=1S/C50H32N2O/c1-2-17-35(18-3-1)52-44-27-10-8-23-41(44)42-26-13-25-38(50(42)52)33-16-12-19-36(31-33)51(45-28-14-30-48-49(45)43-24-9-11-29-47(43)53-48)46-32-34-15-4-5-20-37(34)39-21-6-7-22-40(39)46/h1-32H
InChIKeyAGURZXPDZHQIMX-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-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 164790835
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-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 170300024
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298481
N-(3-dibenzofuran-1-ylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
CID 170298498
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
CID 167324318
N-(4-phenanthren-9-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502544
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-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 164790749
N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-2-amine
CID 164790553
methane;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 165018255
N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine
CID 176795959

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine (CID 164790713) is N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine is c1ccc(-n2c3ccccc3c3cccc(-c4cccc(N(c5cc6ccccc6c6ccccc56)c5cccc6oc7ccccc7c56)c4)c32)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is AGURZXPDZHQIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-2-17-35(18-3-1)52-44-27-10-8-23-41(44)42-26-13-25-38(50(42)52)33-16-12-19-36(31-33)51(45-28-14-30-48-49(45)43-24-9-11-29-47(43)53-48)46-32-34-15-4-5-20-37(34)39-21-6-7-22-40(39)46/h1-32H.
What are the key properties of N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine?
N-phenanthren-9-yl-N-[3-(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-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 164790713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).