N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine

C56H36N2O — CID 176820826

IUPACN-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-3-13-37(14-4-1)38-23-25-40(26-24-38)46-32-34-53(55-48-20-10-12-22-54(48)59-56(46)55)57(43-30-29-41-28-27-39-15-7-8-18-45(39)49(41)35-43)44-31-33-52-50(36-44)47-19-9-11-21-51(47)58(52)42-16-5-2-6-17-42/h1-36H
InChIKeyVBPLAAPCEFTXIJ-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine

N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine (PubChem CID 176820826) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
PubChem CID176820826
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C56H36N2O/c1-3-13-37(14-4-1)38-23-25-40(26-24-38)46-32-34-53(55-48-20-10-12-22-54(48)59-56(46)55)57(43-30-29-41-28-27-39-15-7-8-18-45(39)49(41)35-43)44-31-33-52-50(36-44)47-19-9-11-21-51(47)58(52)42-16-5-2-6-17-42/h1-36H
InChIKeyVBPLAAPCEFTXIJ-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
4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
CID 176820492
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609511
N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820754
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176608684
N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 176820900
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608189
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163555827
N,N-di(phenanthren-2-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820562
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine?
The IUPAC name of N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine (CID 176820826) is N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine.
What is the SMILES notation for N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine?
The canonical SMILES for N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine?
The InChIKey is VBPLAAPCEFTXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-3-13-37(14-4-1)38-23-25-40(26-24-38)46-32-34-53(55-48-20-10-12-22-54(48)59-56(46)55)57(43-30-29-41-28-27-39-15-7-8-18-45(39)49(41)35-43)44-31-33-52-50(36-44)47-19-9-11-21-51(47)58(52)42-16-5-2-6-17-42/h1-36H.
What are the key properties of N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine?
N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-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-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine is sourced from PubChem (CID 176820826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).