5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole

C38H26N4 — CID 146391643

IUPAC5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)c(-c3ccc4cccnc4c3)nc21
InChIInChI=1S/C38H26N4/c1-38(2)30-15-7-5-14-28(30)35-36(38)40-34(26-18-17-23-12-9-19-39-31(23)21-26)37(41-35)42-32-16-8-6-13-27(32)29-20-24-10-3-4-11-25(24)22-33(29)42/h3-22H,1-2H3
InChIKeyYHZCKVHKHOJMKU-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.25
Rot. Bonds2

About 5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole

5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole (PubChem CID 146391643) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole
PubChem CID146391643
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)c(-c3ccc4cccnc4c3)nc21
InChIInChI=1S/C38H26N4/c1-38(2)30-15-7-5-14-28(30)35-36(38)40-34(26-18-17-23-12-9-19-39-31(23)21-26)37(41-35)42-32-16-8-6-13-27(32)29-20-24-10-3-4-11-25(24)22-33(29)42/h3-22H,1-2H3
InChIKeyYHZCKVHKHOJMKU-UHFFFAOYSA-N
XLogP9.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 146391711
5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole
CID 137433463
5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole
CID 137433801
5-[9,9-dimethyl-2-(9,9'-spirobi[fluorene]-4'-yl)indeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole
CID 146391602
5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole
CID 146391671
12-[2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylindeno[1,2-b]pyrazin-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 146392064
13-(2-dibenzofuran-2-yl-9,9-dimethylindeno[1,2-b]pyrazin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 162472954
13-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 162472832
13-[9,9-dimethyl-2-(9-phenylcarbazol-4-yl)indeno[1,2-b]pyrazin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 162473051
5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361992
3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine
CID 146391578
12-[9,9-dimethyl-7-phenyl-3-(9-phenylcarbazol-2-yl)indeno[1,2-b]pyrazin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 146392066

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole?
The IUPAC name of 5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole (CID 146391643) is 5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole?
The canonical SMILES for 5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole is CC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)c(-c3ccc4cccnc4c3)nc21.
What is the InChIKey of 5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole?
The InChIKey is YHZCKVHKHOJMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-38(2)30-15-7-5-14-28(30)35-36(38)40-34(26-18-17-23-12-9-19-39-31(23)21-26)37(41-35)42-32-16-8-6-13-27(32)29-20-24-10-3-4-11-25(24)22-33(29)42/h3-22H,1-2H3.
What are the key properties of 5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole?
5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole has a molecular weight of 538.65 g/mol, XLogP of 9.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole is sourced from PubChem (CID 146391643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).