5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole

C46H28N2O — CID 134252386

IUPAC5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6oc5c5c6ccccc6n(-c6ccc7ccccc7c6)c45)cc32)cc1
InChIInChI=1S/C46H28N2O/c1-2-14-32(15-3-1)47-40-19-9-6-16-34(40)35-25-23-31(27-42(35)47)38-28-39-36-17-8-11-21-43(36)49-46(39)44-37-18-7-10-20-41(37)48(45(38)44)33-24-22-29-12-4-5-13-30(29)26-33/h1-28H
InChIKeyGAXRODBANOJRME-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.60
Rot. Bonds3

About 5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole

5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 134252386) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID134252386
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6oc5c5c6ccccc6n(-c6ccc7ccccc7c6)c45)cc32)cc1
InChIInChI=1S/C46H28N2O/c1-2-14-32(15-3-1)47-40-19-9-6-16-34(40)35-25-23-31(27-42(35)47)38-28-39-36-17-8-11-21-43(36)49-46(39)44-37-18-7-10-20-41(37)48(45(38)44)33-24-22-29-12-4-5-13-30(29)26-33/h1-28H
InChIKeyGAXRODBANOJRME-UHFFFAOYSA-N
XLogP12.60
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656557
5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252605
5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656421
N-[4-(5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]-N,4-diphenylaniline
CID 134252470
12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene
CID 134252619
14-(4-carbazol-9-ylphenyl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
CID 126656691
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252675
3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
2-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753463
2-[9-(6-dibenzofuran-1-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753215
5-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-3,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-11-naphthalen-2-ylindolo[3,2-b]carbazole
CID 159976213
2-[9-(4-naphthalen-2-yldibenzofuran-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 172512232

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole (CID 134252386) is 5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6oc5c5c6ccccc6n(-c6ccc7ccccc7c6)c45)cc32)cc1.
What is the InChIKey of 5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is GAXRODBANOJRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-14-32(15-3-1)47-40-19-9-6-16-34(40)35-25-23-31(27-42(35)47)38-28-39-36-17-8-11-21-43(36)49-46(39)44-37-18-7-10-20-41(37)48(45(38)44)33-24-22-29-12-4-5-13-30(29)26-33/h1-28H.
What are the key properties of 5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 624.74 g/mol, XLogP of 12.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 134252386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).