2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline

C47H28N2O — CID 164835106

IUPAC2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline
SMILESc1ccc2c(c1)ccc1ccc(-c3cc4c(oc5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c54)c4ccccc34)nc12
InChIInChI=1S/C47H28N2O/c1-2-11-34-29(10-1)20-21-31-24-27-41(48-46(31)34)39-28-40-45-33(16-9-19-44(45)50-47(40)38-15-4-3-12-35(38)39)30-22-25-32(26-23-30)49-42-17-7-5-13-36(42)37-14-6-8-18-43(37)49/h1-28H
InChIKeyRQFIXTHTKDNDHP-UHFFFAOYSA-N
MW636.75 g/mol
LogP12.87
Rot. Bonds3

About 2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline

2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline (PubChem CID 164835106) has the molecular formula C47H28N2O and a molecular weight of 636.75 g/mol. Its IUPAC name is 2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline.

Molecular Properties

Compound Name2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline
PubChem CID164835106
Molecular FormulaC47H28N2O
Molecular Weight636.75 g/mol
Exact Mass636.22
IUPAC Name2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline
SMILESc1ccc2c(c1)ccc1ccc(-c3cc4c(oc5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c54)c4ccccc34)nc12
InChIInChI=1S/C47H28N2O/c1-2-11-34-29(10-1)20-21-31-24-27-41(48-46(31)34)39-28-40-45-33(16-9-19-44(45)50-47(40)38-15-4-3-12-35(38)39)30-22-25-32(26-23-30)49-42-17-7-5-13-36(42)37-14-6-8-18-43(37)49/h1-28H
InChIKeyRQFIXTHTKDNDHP-UHFFFAOYSA-N
XLogP12.87
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline with MolForge

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Related Compounds

2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline
CID 90049874
9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole
CID 164834774
5-dibenzofuran-4-yl-7-(4-naphthalen-1-ylphenyl)indolo[2,3-b]carbazole
CID 167029628
2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 164835114
9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
CID 163638937
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 166939040
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167331207
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167329361
9-[4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155049823
7-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-ylindolo[2,3-b]carbazole
CID 126580139
9-dibenzofuran-4-yl-14-(4-naphthalen-1-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167029631
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692971

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline?
The IUPAC name of 2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline (CID 164835106) is 2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline.
What is the SMILES notation for 2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline?
The canonical SMILES for 2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline is c1ccc2c(c1)ccc1ccc(-c3cc4c(oc5cccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c54)c4ccccc34)nc12.
What is the InChIKey of 2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline?
The InChIKey is RQFIXTHTKDNDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O/c1-2-11-34-29(10-1)20-21-31-24-27-41(48-46(31)34)39-28-40-45-33(16-9-19-44(45)50-47(40)38-15-4-3-12-35(38)39)30-22-25-32(26-23-30)49-42-17-7-5-13-36(42)37-14-6-8-18-43(37)49/h1-28H.
What are the key properties of 2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline?
2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline has a molecular weight of 636.75 g/mol, XLogP of 12.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-carbazol-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]benzo[h]quinoline is sourced from PubChem (CID 164835106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).