9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole

C46H28N2O — CID 121343394

IUPAC9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3c3ccc4oc5ccccc5c4c32)cc1
InChIInChI=1S/C46H28N2O/c1-2-12-33(13-3-1)48-42-24-20-32(28-39(42)36-22-25-44-45(46(36)48)37-15-7-9-17-43(37)49-44)31-19-23-41-38(27-31)35-14-6-8-16-40(35)47(41)34-21-18-29-10-4-5-11-30(29)26-34/h1-28H
InChIKeyKPPFCNRTYNJQPE-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.60
Rot. Bonds3

About 9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole

9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole (PubChem CID 121343394) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
PubChem CID121343394
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3c3ccc4oc5ccccc5c4c32)cc1
InChIInChI=1S/C46H28N2O/c1-2-12-33(13-3-1)48-42-24-20-32(28-39(42)36-22-25-44-45(46(36)48)37-15-7-9-17-43(37)49-44)31-19-23-41-38(27-31)35-14-6-8-16-40(35)47(41)34-21-18-29-10-4-5-11-30(29)26-34/h1-28H
InChIKeyKPPFCNRTYNJQPE-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

11-(4-naphthalen-2-ylphenyl)-15-phenyl-24-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 118546092
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;bis(9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole)
CID 161012876
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
12-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindolo[2,3-a]carbazole;12-naphthalen-2-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 158507542
3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 163841517
5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 134168814
5-(9-naphthalen-2-ylcarbazol-3-yl)-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-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole
CID 159391615
8-(9-dibenzofuran-1-ylcarbazol-3-yl)-11-naphthalen-2-ylbenzo[a]carbazole
CID 167243807
3-[9-(9,14-dioxapentacyclo[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)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
12-dibenzofuran-2-yl-5-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167030159
8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
CID 167243435
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142

Frequently Asked Questions

What is the IUPAC name of 9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole (CID 121343394) is 9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc3c3ccc4oc5ccccc5c4c32)cc1.
What is the InChIKey of 9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
The InChIKey is KPPFCNRTYNJQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-12-33(13-3-1)48-42-24-20-32(28-39(42)36-22-25-44-45(46(36)48)37-15-7-9-17-43(37)49-44)31-19-23-41-38(27-31)35-14-6-8-16-40(35)47(41)34-21-18-29-10-4-5-11-30(29)26-34/h1-28H.
What are the key properties of 9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole?
9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]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 9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 121343394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).