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

C46H28N2O — CID 121343366

IUPAC5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C46H28N2O/c1-2-13-32(14-3-1)47-40-18-8-6-16-34(40)37-27-30(21-24-41(37)47)31-22-25-42-38(28-31)45-43(26-23-36-35-17-7-9-20-44(35)49-46(36)45)48(42)39-19-10-12-29-11-4-5-15-33(29)39/h1-28H
InChIKeyWEHHXEPYMSYLRC-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.60
Rot. Bonds3

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

5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 121343366) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID121343366
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C46H28N2O/c1-2-13-32(14-3-1)47-40-18-8-6-16-34(40)37-27-30(21-24-41(37)47)31-22-25-42-38(28-31)45-43(26-23-36-35-17-7-9-20-44(35)49-46(36)45)48(42)39-19-10-12-29-11-4-5-15-33(29)39/h1-28H
InChIKeyWEHHXEPYMSYLRC-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

2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
[3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane
CID 163560913
15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126679300
12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 157381564
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
3,6-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 121324538
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 159963365
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
CID 131979777

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole (CID 121343366) is 5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4cccc5ccccc45)ccc32)cc1.
What is the InChIKey of 5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is WEHHXEPYMSYLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-13-32(14-3-1)47-40-18-8-6-16-34(40)37-27-30(21-24-41(37)47)31-22-25-42-38(28-31)45-43(26-23-36-35-17-7-9-20-44(35)49-46(36)45)48(42)39-19-10-12-29-11-4-5-15-33(29)39/h1-28H.
What are the key properties of 5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole?
5-naphthalen-1-yl-2-(9-phenylcarbazol-3-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-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 121343366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).