4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine

C56H36N2O — CID 176609511

IUPAC4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C56H36N2O/c1-2-13-42(14-3-1)57(43-29-24-37(25-30-43)40-28-33-46-41(36-40)23-22-38-12-4-5-15-45(38)46)53-35-34-47(56-55(53)50-18-8-11-21-54(50)59-56)39-26-31-44(32-27-39)58-51-19-9-6-16-48(51)49-17-7-10-20-52(49)58/h1-36H
InChIKeyYMCBILUOJNZWPY-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine

4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine (PubChem CID 176609511) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
PubChem CID176609511
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C56H36N2O/c1-2-13-42(14-3-1)57(43-29-24-37(25-30-43)40-28-33-46-41(36-40)23-22-38-12-4-5-15-45(38)46)53-35-34-47(56-55(53)50-18-8-11-21-54(50)59-56)39-26-31-44(32-27-39)58-51-19-9-6-16-48(51)49-17-7-10-20-52(49)58/h1-36H
InChIKeyYMCBILUOJNZWPY-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.79
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

4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271
N-phenanthren-2-yl-9-phenyl-N-(4-phenyldibenzofuran-1-yl)carbazol-2-amine
CID 176820903
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176608684
N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
CID 176820826
4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
CID 176820492
N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 176820900
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847677
4-(3-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609043
N-phenanthren-2-yl-N-(3-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821033
N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562
4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 135164574
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine
CID 167277099

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine (CID 176609511) is 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine is c1ccc(N(c2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine?
The InChIKey is YMCBILUOJNZWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-13-42(14-3-1)57(43-29-24-37(25-30-43)40-28-33-46-41(36-40)23-22-38-12-4-5-15-45(38)46)53-35-34-47(56-55(53)50-18-8-11-21-54(50)59-56)39-26-31-44(32-27-39)58-51-19-9-6-16-48(51)49-17-7-10-20-52(49)58/h1-36H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine?
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine has a molecular weight of 752.92 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176609511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).