7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole

C39H27N — CID 90441170

IUPAC7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c21
InChIInChI=1S/C39H27N/c1-39(2)34-17-9-7-16-32(34)37-35(39)22-21-31-30-15-8-10-18-36(30)40(38(31)37)24-19-20-29-27-13-4-3-11-25(27)26-12-5-6-14-28(26)33(29)23-24/h3-23H,1-2H3
InChIKeyKIDJKJMEESZQCC-UHFFFAOYSA-N
MW509.65 g/mol
LogP10.55
Rot. Bonds1

About 7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole

7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole (PubChem CID 90441170) has the molecular formula C39H27N and a molecular weight of 509.65 g/mol. Its IUPAC name is 7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
PubChem CID90441170
Molecular FormulaC39H27N
Molecular Weight509.65 g/mol
Exact Mass509.21
IUPAC Name7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c21
InChIInChI=1S/C39H27N/c1-39(2)34-17-9-7-16-32(34)37-35(39)22-21-31-30-15-8-10-18-36(30)40(38(31)37)24-19-20-29-27-13-4-3-11-25(27)26-12-5-6-14-28(26)33(29)23-24/h3-23H,1-2H3
InChIKeyKIDJKJMEESZQCC-UHFFFAOYSA-N
XLogP10.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

12-dibenzofuran-3-yl-7,7-dimethylindeno[1,2-a]carbazole
CID 118502345
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
12-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 121343632
9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole
CID 59219726
12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614900
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
12-[4-[2,6-bis[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630670
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842712
2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166572299
3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile
CID 129290965

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole?
The IUPAC name of 7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole (CID 90441170) is 7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole.
What is the SMILES notation for 7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole?
The canonical SMILES for 7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c21.
What is the InChIKey of 7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole?
The InChIKey is KIDJKJMEESZQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N/c1-39(2)34-17-9-7-16-32(34)37-35(39)22-21-31-30-15-8-10-18-36(30)40(38(31)37)24-19-20-29-27-13-4-3-11-25(27)26-12-5-6-14-28(26)33(29)23-24/h3-23H,1-2H3.
What are the key properties of 7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole?
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole has a molecular weight of 509.65 g/mol, XLogP of 10.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole is sourced from PubChem (CID 90441170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).