11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole

C45H31NO — CID 90225215

IUPAC11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)c3c21
InChIInChI=1S/C45H31NO/c1-45(2)39-15-6-3-10-33(39)36-26-27-37-34-11-4-7-16-40(34)46(43(37)42(36)45)31-24-22-29(23-25-31)28-18-20-30(21-19-28)32-13-9-14-38-35-12-5-8-17-41(35)47-44(32)38/h3-27H,1-2H3
InChIKeyCYQSZCXIERNMIN-UHFFFAOYSA-N
MW601.75 g/mol
LogP12.32
Rot. Bonds3

About 11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole

11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole (PubChem CID 90225215) has the molecular formula C45H31NO and a molecular weight of 601.75 g/mol. Its IUPAC name is 11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
PubChem CID90225215
Molecular FormulaC45H31NO
Molecular Weight601.75 g/mol
Exact Mass601.24
IUPAC Name11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)c3c21
InChIInChI=1S/C45H31NO/c1-45(2)39-15-6-3-10-33(39)36-26-27-37-34-11-4-7-16-40(34)46(43(37)42(36)45)31-24-22-29(23-25-31)28-18-20-30(21-19-28)32-13-9-14-38-35-12-5-8-17-41(35)47-44(32)38/h3-27H,1-2H3
InChIKeyCYQSZCXIERNMIN-UHFFFAOYSA-N
XLogP12.32
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
3-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 71037140
5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 90191504
9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 129193103
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126628967
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-1-methylcarbazole
CID 163908645
12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163847238
7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole
CID 126580144
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
The IUPAC name of 11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole (CID 90225215) is 11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole.
What is the SMILES notation for 11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
The canonical SMILES for 11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)c3c21.
What is the InChIKey of 11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
The InChIKey is CYQSZCXIERNMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NO/c1-45(2)39-15-6-3-10-33(39)36-26-27-37-34-11-4-7-16-40(34)46(43(37)42(36)45)31-24-22-29(23-25-31)28-18-20-30(21-19-28)32-13-9-14-38-35-12-5-8-17-41(35)47-44(32)38/h3-27H,1-2H3.
What are the key properties of 11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole has a molecular weight of 601.75 g/mol, XLogP of 12.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole is sourced from PubChem (CID 90225215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).