11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole

C35H27N3 — CID 118508764

IUPAC11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3C1=Nc2ccccc2NC1c1ccccc1
InChIInChI=1S/C35H27N3/c1-35(2)27-16-8-6-14-23(27)25-21-32-26(20-28(25)35)24-15-7-11-19-31(24)38(32)34-33(22-12-4-3-5-13-22)36-29-17-9-10-18-30(29)37-34/h3-21,33,36H,1-2H3
InChIKeyVLMAGKMEJXGFDF-UHFFFAOYSA-N
MW489.62 g/mol
LogP8.85
Rot. Bonds1

About 11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole

11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole (PubChem CID 118508764) has the molecular formula C35H27N3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole.

Molecular Properties

Compound Name11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole
PubChem CID118508764
Molecular FormulaC35H27N3
Molecular Weight489.62 g/mol
Exact Mass489.22
IUPAC Name11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3C1=Nc2ccccc2NC1c1ccccc1
InChIInChI=1S/C35H27N3/c1-35(2)27-16-8-6-14-23(27)25-21-32-26(20-28(25)35)24-15-7-11-19-31(24)38(32)34-33(22-12-4-3-5-13-22)36-29-17-9-10-18-30(29)37-34/h3-21,33,36H,1-2H3
InChIKeyVLMAGKMEJXGFDF-UHFFFAOYSA-N
XLogP8.85
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
5-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 166588030
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole
CID 86664282
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
11,11-dimethyl-5-[3-(6-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydroquinoxalin-2-yl]indeno[1,2-b]carbazole
CID 144943011
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole
CID 118488779
11,11-dimethyl-5-[4-(4-phenylphenyl)quinolin-2-yl]indeno[1,2-b]carbazole
CID 90076019
11,11-dimethyl-5-(1-phenylisoquinolin-3-yl)indeno[1,2-b]carbazole
CID 118502176
CID 134551753
CID 134551753

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole?
The IUPAC name of 11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole (CID 118508764) is 11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole.
What is the SMILES notation for 11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole?
The canonical SMILES for 11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3C1=Nc2ccccc2NC1c1ccccc1.
What is the InChIKey of 11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole?
The InChIKey is VLMAGKMEJXGFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N3/c1-35(2)27-16-8-6-14-23(27)25-21-32-26(20-28(25)35)24-15-7-11-19-31(24)38(32)34-33(22-12-4-3-5-13-22)36-29-17-9-10-18-30(29)37-34/h3-21,33,36H,1-2H3.
What are the key properties of 11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole?
11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole has a molecular weight of 489.62 g/mol, XLogP of 8.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-5-(3-phenyl-3,4-dihydroquinoxalin-2-yl)indeno[1,2-b]carbazole is sourced from PubChem (CID 118508764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).