11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole

C36H26N2 — CID 118502171

IUPAC11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C36H26N2/c1-36(2)30-16-8-6-13-25(30)28-22-34-29(21-31(28)36)27-14-7-9-18-33(27)38(34)35-20-19-26-24(15-10-17-32(26)37-35)23-11-4-3-5-12-23/h3-22H,1-2H3
InChIKeyGOLFAWVSWBCERU-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.31
Rot. Bonds2

About 11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole

11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole (PubChem CID 118502171) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole.

Molecular Properties

Compound Name11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole
PubChem CID118502171
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C36H26N2/c1-36(2)30-16-8-6-13-25(30)28-22-34-29(21-31(28)36)27-14-7-9-18-33(27)38(34)35-20-19-26-24(15-10-17-32(26)37-35)23-11-4-3-5-12-23/h3-22H,1-2H3
InChIKeyGOLFAWVSWBCERU-UHFFFAOYSA-N
XLogP9.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole?
The IUPAC name of 11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole (CID 118502171) is 11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole.
What is the SMILES notation for 11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole?
The canonical SMILES for 11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2c(-c3ccccc3)cccc2n1.
What is the InChIKey of 11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole?
The InChIKey is GOLFAWVSWBCERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-36(2)30-16-8-6-13-25(30)28-22-34-29(21-31(28)36)27-14-7-9-18-33(27)38(34)35-20-19-26-24(15-10-17-32(26)37-35)23-11-4-3-5-12-23/h3-22H,1-2H3.
What are the key properties of 11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole?
11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole has a molecular weight of 486.62 g/mol, XLogP of 9.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-5-(5-phenylquinolin-2-yl)indeno[1,2-b]carbazole is sourced from PubChem (CID 118502171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).