N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine

C56H36N2O — CID 170376619

IUPACN-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
SMILESc1ccc(-c2c3c(cc4c2c2ccc(N(c5ccccc5)c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc2n4-c2ccccc2)oc2ccccc23)cc1
InChIInChI=1S/C56H36N2O/c1-4-16-38(17-5-1)54-55-47-33-32-43(35-50(47)58(41-21-8-3-9-22-41)51(55)36-53-56(54)48-26-14-15-27-52(48)59-53)57(40-19-6-2-7-20-40)42-30-28-37(29-31-42)49-34-39-18-10-11-23-44(39)45-24-12-13-25-46(45)49/h1-36H
InChIKeyDDHBXWWGZVPHHG-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine

N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine (PubChem CID 170376619) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
PubChem CID170376619
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
SMILESc1ccc(-c2c3c(cc4c2c2ccc(N(c5ccccc5)c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc2n4-c2ccccc2)oc2ccccc23)cc1
InChIInChI=1S/C56H36N2O/c1-4-16-38(17-5-1)54-55-47-33-32-43(35-50(47)58(41-21-8-3-9-22-41)51(55)36-53-56(54)48-26-14-15-27-52(48)59-53)57(40-19-6-2-7-20-40)42-30-28-37(29-31-42)49-34-39-18-10-11-23-44(39)45-24-12-13-25-46(45)49/h1-36H
InChIKeyDDHBXWWGZVPHHG-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-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
7-phenanthren-9-yl-N,12-diphenyl-N-triphenylen-2-yl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376987
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377401
N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
CID 170369620
7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377031
N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170377101
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228
N-(4-dibenzofuran-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010360
N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 170370037
N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170369705
N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine
CID 163804566
N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376671

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine (CID 170376619) is N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine is c1ccc(-c2c3c(cc4c2c2ccc(N(c5ccccc5)c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc2n4-c2ccccc2)oc2ccccc23)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine?
The InChIKey is DDHBXWWGZVPHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-4-16-38(17-5-1)54-55-47-33-32-43(35-50(47)58(41-21-8-3-9-22-41)51(55)36-53-56(54)48-26-14-15-27-52(48)59-53)57(40-19-6-2-7-20-40)42-30-28-37(29-31-42)49-34-39-18-10-11-23-44(39)45-24-12-13-25-46(45)49/h1-36H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine?
N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-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-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine is sourced from PubChem (CID 170376619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).