7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline

C29H21N3 — CID 146356615

IUPAC7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline
SMILESCC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc3nccnc3cc21
InChIInChI=1S/C29H21N3/c1-29(2)23-12-11-18(15-21(23)22-16-25-26(17-24(22)29)31-14-13-30-25)32-27-9-5-3-7-19(27)20-8-4-6-10-28(20)32/h3-17H,1-2H3
InChIKeySMWLLYZWNBUQKH-UHFFFAOYSA-N
MW411.51 g/mol
LogP7.03
Rot. Bonds1

About 7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline

7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline (PubChem CID 146356615) has the molecular formula C29H21N3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline.

Molecular Properties

Compound Name7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline
PubChem CID146356615
Molecular FormulaC29H21N3
Molecular Weight411.51 g/mol
Exact Mass411.17
IUPAC Name7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline
SMILESCC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc3nccnc3cc21
InChIInChI=1S/C29H21N3/c1-29(2)23-12-11-18(15-21(23)22-16-25-26(17-24(22)29)31-14-13-30-25)32-27-9-5-3-7-19(27)20-8-4-6-10-28(20)32/h3-17H,1-2H3
InChIKeySMWLLYZWNBUQKH-UHFFFAOYSA-N
XLogP7.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
CID 135131175
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzoselenolo[2,3-b]pyrazine
CID 140853004
7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine
CID 134351434
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726
5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole
CID 118488507
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
12-(9,9-dimethylfluoren-3-yl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502094
10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063786

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline?
The IUPAC name of 7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline (CID 146356615) is 7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline.
What is the SMILES notation for 7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline?
The canonical SMILES for 7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline is CC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc3nccnc3cc21.
What is the InChIKey of 7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline?
The InChIKey is SMWLLYZWNBUQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3/c1-29(2)23-12-11-18(15-21(23)22-16-25-26(17-24(22)29)31-14-13-30-25)32-27-9-5-3-7-19(27)20-8-4-6-10-28(20)32/h3-17H,1-2H3.
What are the key properties of 7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline?
7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline has a molecular weight of 411.51 g/mol, XLogP of 7.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline is sourced from PubChem (CID 146356615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).