10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole

C47H35NO — CID 145018196

IUPAC10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCc1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1cc2c(cc1C)C(C)(C)c1cc3c(cc1-2)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C47H35NO/c1-28-18-19-30(31-20-21-46-40(24-31)34-15-9-11-17-45(34)49-46)23-35(28)36-25-37-38-26-39-33-14-8-10-16-43(33)48(32-12-6-5-7-13-32)44(39)27-42(38)47(3,4)41(37)22-29(36)2/h5-27H,1-4H3
InChIKeyQUKPHMBHDXQPJX-UHFFFAOYSA-N
MW629.80 g/mol
LogP12.94
Rot. Bonds3

About 10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole

10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole (PubChem CID 145018196) has the molecular formula C47H35NO and a molecular weight of 629.80 g/mol. Its IUPAC name is 10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole
PubChem CID145018196
Molecular FormulaC47H35NO
Molecular Weight629.80 g/mol
Exact Mass629.27
IUPAC Name10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCc1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1cc2c(cc1C)C(C)(C)c1cc3c(cc1-2)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C47H35NO/c1-28-18-19-30(31-20-21-46-40(24-31)34-15-9-11-17-45(34)49-46)23-35(28)36-25-37-38-26-39-33-14-8-10-16-43(33)48(32-12-6-5-7-13-32)44(39)27-42(38)47(3,4)41(37)22-29(36)2/h5-27H,1-4H3
InChIKeyQUKPHMBHDXQPJX-UHFFFAOYSA-N
XLogP12.94
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.80
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223314
15,15-dimethyl-19-[4-(4-methylphenyl)phenyl]-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118891844
2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166096450
8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223761
10-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223345
23-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20(25),21,23,26-dodecaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-19-phenyl-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene
CID 161294064
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223673
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223402
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole;5,7-diphenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 163758955
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830

Frequently Asked Questions

What is the IUPAC name of 10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole?
The IUPAC name of 10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole (CID 145018196) is 10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole is Cc1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1cc2c(cc1C)C(C)(C)c1cc3c(cc1-2)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole?
The InChIKey is QUKPHMBHDXQPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35NO/c1-28-18-19-30(31-20-21-46-40(24-31)34-15-9-11-17-45(34)49-46)23-35(28)36-25-37-38-26-39-33-14-8-10-16-43(33)48(32-12-6-5-7-13-32)44(39)27-42(38)47(3,4)41(37)22-29(36)2/h5-27H,1-4H3.
What are the key properties of 10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole?
10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole has a molecular weight of 629.80 g/mol, XLogP of 12.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 145018196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).