11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole

C43H28N2O — CID 166739341

IUPAC11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESCc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc2c1oc1c2ccc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C43H28N2O/c1-27-13-11-24-38(45-35-21-8-5-16-29(35)30-17-6-9-22-36(30)45)40(27)34-20-12-19-31-32-25-26-39-41(43(32)46-42(31)34)33-18-7-10-23-37(33)44(39)28-14-3-2-4-15-28/h2-26H,1H3
InChIKeyCPFSTMYMLAEJDV-UHFFFAOYSA-N
MW588.71 g/mol
LogP11.76
Rot. Bonds3

About 11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole

11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 166739341) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is 11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
PubChem CID166739341
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC Name11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESCc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc2c1oc1c2ccc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C43H28N2O/c1-27-13-11-24-38(45-35-21-8-5-16-29(35)30-17-6-9-22-36(30)45)40(27)34-20-12-19-31-32-25-26-39-41(43(32)46-42(31)34)33-18-7-10-23-37(33)44(39)28-14-3-2-4-15-28/h2-26H,1H3
InChIKeyCPFSTMYMLAEJDV-UHFFFAOYSA-N
XLogP11.76
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine
CID 165063889
6-phenyl-24-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736677
buta-1,3-diene;6-(9-dibenzofuran-4-ylcarbazol-3-yl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 144670218
5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
[3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane
CID 163560913
4-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 146397332
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 121400394
2-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile
CID 166504107
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541208
9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-14-phenyl-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 138568922
2-carbazol-9-yl-6-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzene-1,4-dicarbonitrile
CID 121328622
10-phenyl-6-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828310

Frequently Asked Questions

What is the IUPAC name of 11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole (CID 166739341) is 11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole is Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc2c1oc1c2ccc2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is CPFSTMYMLAEJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-27-13-11-24-38(45-35-21-8-5-16-29(35)30-17-6-9-22-36(30)45)40(27)34-20-12-19-31-32-25-26-39-41(43(32)46-42(31)34)33-18-7-10-23-37(33)44(39)28-14-3-2-4-15-28/h2-26H,1H3.
What are the key properties of 11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 588.71 g/mol, XLogP of 11.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-carbazol-9-yl-6-methylphenyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 166739341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).