11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole

C51H36N2O — CID 163491403

IUPAC11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4cccc5c6c(oc45)CCC=C6)c3c21
InChIInChI=1S/C51H36N2O/c1-51(2)42-19-9-6-15-34(42)37-25-26-38-41-30-32(31-23-27-44-40(29-31)35-16-7-10-20-43(35)52(44)33-13-4-3-5-14-33)24-28-45(41)53(49(38)48(37)51)46-21-12-18-39-36-17-8-11-22-47(36)54-50(39)46/h3-10,12-21,23-30H,11,22H2,1-2H3
InChIKeyCMXYLAMXBOUDFX-UHFFFAOYSA-N
MW692.86 g/mol
LogP13.56
Rot. Bonds3

About 11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole

11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole (PubChem CID 163491403) has the molecular formula C51H36N2O and a molecular weight of 692.86 g/mol. Its IUPAC name is 11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole
PubChem CID163491403
Molecular FormulaC51H36N2O
Molecular Weight692.86 g/mol
Exact Mass692.28
IUPAC Name11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4cccc5c6c(oc45)CCC=C6)c3c21
InChIInChI=1S/C51H36N2O/c1-51(2)42-19-9-6-15-34(42)37-25-26-38-41-30-32(31-23-27-44-40(29-31)35-16-7-10-20-43(35)52(44)33-13-4-3-5-14-33)24-28-45(41)53(49(38)48(37)51)46-21-12-18-39-36-17-8-11-22-47(36)54-50(39)46/h3-10,12-21,23-30H,11,22H2,1-2H3
InChIKeyCMXYLAMXBOUDFX-UHFFFAOYSA-N
XLogP13.56
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.86
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
CID 121344070
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
12-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 160883753
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
4-N-[4-(6,7-dihydrodibenzofuran-4-yl)phenyl]-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 70671807
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223381
5-dibenzofuran-4-yl-6,6-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[2,1-b]indole
CID 90191421

Frequently Asked Questions

What is the IUPAC name of 11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole?
The IUPAC name of 11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole (CID 163491403) is 11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole.
What is the SMILES notation for 11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole?
The canonical SMILES for 11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4cccc5c6c(oc45)CCC=C6)c3c21.
What is the InChIKey of 11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole?
The InChIKey is CMXYLAMXBOUDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2O/c1-51(2)42-19-9-6-15-34(42)37-25-26-38-41-30-32(31-23-27-44-40(29-31)35-16-7-10-20-43(35)52(44)33-13-4-3-5-14-33)24-28-45(41)53(49(38)48(37)51)46-21-12-18-39-36-17-8-11-22-47(36)54-50(39)46/h3-10,12-21,23-30H,11,22H2,1-2H3.
What are the key properties of 11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole?
11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole has a molecular weight of 692.86 g/mol, XLogP of 13.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole is sourced from PubChem (CID 163491403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).