N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine

C56H36N2O — CID 170369620

IUPACN-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)c4c(cc2n3-c2ccc(N(c3ccccc3)c3cc5ccccc5c5ccccc35)cc2)oc2ccccc24)cc1
InChIInChI=1S/C56H36N2O/c1-4-16-37(17-5-1)39-28-33-49-48(34-39)55-51(36-53-56(47-26-14-15-27-52(47)59-53)54(55)38-18-6-2-7-19-38)58(49)43-31-29-42(30-32-43)57(41-21-8-3-9-22-41)50-35-40-20-10-11-23-44(40)45-24-12-13-25-46(45)50/h1-36H
InChIKeyAFGVPZUUPLGZHC-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine

N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine (PubChem CID 170369620) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
PubChem CID170369620
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)c4c(cc2n3-c2ccc(N(c3ccccc3)c3cc5ccccc5c5ccccc35)cc2)oc2ccccc24)cc1
InChIInChI=1S/C56H36N2O/c1-4-16-37(17-5-1)39-28-33-49-48(34-39)55-51(36-53-56(47-26-14-15-27-52(47)59-53)54(55)38-18-6-2-7-19-38)58(49)43-31-29-42(30-32-43)57(41-21-8-3-9-22-41)50-35-40-20-10-11-23-44(40)45-24-12-13-25-46(45)50/h1-36H
InChIKeyAFGVPZUUPLGZHC-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'}

Analyze N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine with MolForge

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Related Compounds

7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377031
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377401
N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376619
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170369705
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-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]phenanthren-9-amine
CID 163572862
N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377110
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 59470040
12-naphthalen-2-yl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170377332
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 89492312

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine?
The IUPAC name of N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine (CID 170369620) is N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine.
What is the SMILES notation for N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine?
The canonical SMILES for N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine is c1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)c4c(cc2n3-c2ccc(N(c3ccccc3)c3cc5ccccc5c5ccccc35)cc2)oc2ccccc24)cc1.
What is the InChIKey of N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine?
The InChIKey is AFGVPZUUPLGZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-4-16-37(17-5-1)39-28-33-49-48(34-39)55-51(36-53-56(47-26-14-15-27-52(47)59-53)54(55)38-18-6-2-7-19-38)58(49)43-31-29-42(30-32-43)57(41-21-8-3-9-22-41)50-35-40-20-10-11-23-44(40)45-24-12-13-25-46(45)50/h1-36H.
What are the key properties of N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine?
N-[4-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-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-(10,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenylphenanthren-9-amine is sourced from PubChem (CID 170369620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).