7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole

C39H29NO — CID 170286164

IUPAC7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2C2=Cc3c(n(-c4ccc5c(c4)oc4cc(-c6ccccc6)ccc45)c4ccccc34)CC21
InChIInChI=1S/C39H29NO/c1-39(2)33-14-8-6-12-27(33)31-22-32-28-13-7-9-15-35(28)40(36(32)23-34(31)39)26-17-19-30-29-18-16-25(24-10-4-3-5-11-24)20-37(29)41-38(30)21-26/h3-22,34H,23H2,1-2H3
InChIKeyIUCJJTPAJVYTQA-UHFFFAOYSA-N
MW527.67 g/mol
LogP10.20
Rot. Bonds2

About 7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole

7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole (PubChem CID 170286164) has the molecular formula C39H29NO and a molecular weight of 527.67 g/mol. Its IUPAC name is 7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole
PubChem CID170286164
Molecular FormulaC39H29NO
Molecular Weight527.67 g/mol
Exact Mass527.22
IUPAC Name7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2C2=Cc3c(n(-c4ccc5c(c4)oc4cc(-c6ccccc6)ccc45)c4ccccc34)CC21
InChIInChI=1S/C39H29NO/c1-39(2)33-14-8-6-12-27(33)31-22-32-28-13-7-9-15-35(28)40(36(32)23-34(31)39)26-17-19-30-29-18-16-25(24-10-4-3-5-11-24)20-37(29)41-38(30)21-26/h3-22,34H,23H2,1-2H3
InChIKeyIUCJJTPAJVYTQA-UHFFFAOYSA-N
XLogP10.20
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole
CID 129298840
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole
CID 170080771
9-[7-[7-[7-(7-carbazol-9-yldibenzofuran-3-yl)dibenzofuran-3-yl]dibenzofuran-3-yl]dibenzofuran-3-yl]carbazole
CID 90207091
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine
CID 166002710
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
3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947376
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335707
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 118098800

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole (CID 170286164) is 7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole is CC1(C)c2ccccc2C2=Cc3c(n(-c4ccc5c(c4)oc4cc(-c6ccccc6)ccc45)c4ccccc34)CC21.
What is the InChIKey of 7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole?
The InChIKey is IUCJJTPAJVYTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29NO/c1-39(2)33-14-8-6-12-27(33)31-22-32-28-13-7-9-15-35(28)40(36(32)23-34(31)39)26-17-19-30-29-18-16-25(24-10-4-3-5-11-24)20-37(29)41-38(30)21-26/h3-22,34H,23H2,1-2H3.
What are the key properties of 7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole?
7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole has a molecular weight of 527.67 g/mol, XLogP of 10.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-(7-phenyldibenzofuran-3-yl)-6,6a-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 170286164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).