N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine

C56H36N2O — CID 176820900

IUPACN-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3ccc4c(ccc5ccccc54)c3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C56H36N2O/c1-3-14-37(15-4-1)47-34-35-52(54-50-21-10-12-25-53(50)59-56(47)54)57(43-32-33-45-40(36-43)27-26-38-16-7-8-19-44(38)45)42-30-28-39(29-31-42)46-22-13-23-49-48-20-9-11-24-51(48)58(55(46)49)41-17-5-2-6-18-41/h1-36H
InChIKeyGQVOCIOGLWVGHM-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine

N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine (PubChem CID 176820900) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
PubChem CID176820900
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3ccc4c(ccc5ccccc54)c3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C56H36N2O/c1-3-14-37(15-4-1)47-34-35-52(54-50-21-10-12-25-53(50)59-56(47)54)57(43-32-33-45-40(36-43)27-26-38-16-7-8-19-44(38)45)42-30-28-39(29-31-42)46-22-13-23-49-48-20-9-11-24-51(48)58(55(46)49)41-17-5-2-6-18-41/h1-36H
InChIKeyGQVOCIOGLWVGHM-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

N-phenanthren-2-yl-9-phenyl-N-(4-phenyldibenzofuran-1-yl)carbazol-2-amine
CID 176820903
N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820754
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine
CID 176820503
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609511
N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
CID 176820826
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
CID 176820492
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176608684
N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 164790835
8-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795645

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine (CID 176820900) is N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3ccc4c(ccc5ccccc54)c3)c3c2oc2ccccc23)cc1.
What is the InChIKey of N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is GQVOCIOGLWVGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-3-14-37(15-4-1)47-34-35-52(54-50-21-10-12-25-53(50)59-56(47)54)57(43-32-33-45-40(36-43)27-26-38-16-7-8-19-44(38)45)42-30-28-39(29-31-42)46-22-13-23-49-48-20-9-11-24-51(48)58(55(46)49)41-17-5-2-6-18-41/h1-36H.
What are the key properties of N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine?
N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-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 N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176820900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).