N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine

C48H30N2O — CID 167277705

IUPACN-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc2c(c1)ccc1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cc4ccccc4c4oc5ccccc5c34)ccc12
InChIInChI=1S/C48H30N2O/c1-3-13-37-31(11-1)21-22-33-29-36(27-28-38(33)37)49(45-30-32-12-2-4-14-39(32)48-47(45)42-17-7-10-20-46(42)51-48)34-23-25-35(26-24-34)50-43-18-8-5-15-40(43)41-16-6-9-19-44(41)50/h1-30H
InChIKeyHPXYLIGBNJQMCJ-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.61
Rot. Bonds4

About N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine

N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine (PubChem CID 167277705) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine
PubChem CID167277705
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc2c(c1)ccc1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cc4ccccc4c4oc5ccccc5c34)ccc12
InChIInChI=1S/C48H30N2O/c1-3-13-37-31(11-1)21-22-33-29-36(27-28-38(33)37)49(45-30-32-12-2-4-14-39(32)48-47(45)42-17-7-10-20-46(42)51-48)34-23-25-35(26-24-34)50-43-18-8-5-15-40(43)41-16-6-9-19-44(41)50/h1-30H
InChIKeyHPXYLIGBNJQMCJ-UHFFFAOYSA-N
XLogP13.61
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.61
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-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine
CID 167277099
N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167277374
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine
CID 176820503
N-phenanthren-2-yl-9-phenyl-N-(4-phenyldibenzofuran-1-yl)carbazol-2-amine
CID 176820903
N-(4-carbazol-9-ylphenyl)-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 167277077
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609511
N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine
CID 171399275
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 167278199
N-naphtho[1,2-b][1]benzofuran-7-yl-N,9-diphenylcarbazol-2-amine
CID 171738403
N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 176820900
N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 163518594
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)phenanthren-2-amine
CID 155397942

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine (CID 167277705) is N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine is c1ccc2c(c1)ccc1cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cc4ccccc4c4oc5ccccc5c34)ccc12.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine?
The InChIKey is HPXYLIGBNJQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-13-37-31(11-1)21-22-33-29-36(27-28-38(33)37)49(45-30-32-12-2-4-14-39(32)48-47(45)42-17-7-10-20-46(42)51-48)34-23-25-35(26-24-34)50-43-18-8-5-15-40(43)41-16-6-9-19-44(41)50/h1-30H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine?
N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine has a molecular weight of 650.78 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine is sourced from PubChem (CID 167277705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).