5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole

C38H26N4 — CID 146391671

IUPAC5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4ncccc4c3)nc(-n3c4ccccc4c4cc5ccccc5cc43)nc21
InChIInChI=1S/C38H26N4/c1-38(2)30-15-7-5-14-28(30)34-35(26-17-18-31-25(20-26)12-9-19-39-31)40-37(41-36(34)38)42-32-16-8-6-13-27(32)29-21-23-10-3-4-11-24(23)22-33(29)42/h3-22H,1-2H3
InChIKeyULJIVDGNEPIRKV-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.25
Rot. Bonds2

About 5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole

5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole (PubChem CID 146391671) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole
PubChem CID146391671
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4ncccc4c3)nc(-n3c4ccccc4c4cc5ccccc5cc43)nc21
InChIInChI=1S/C38H26N4/c1-38(2)30-15-7-5-14-28(30)34-35(26-17-18-31-25(20-26)12-9-19-39-31)40-37(41-36(34)38)42-32-16-8-6-13-27(32)29-21-23-10-3-4-11-24(23)22-33(29)42/h3-22H,1-2H3
InChIKeyULJIVDGNEPIRKV-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

5-[9,9-dimethyl-4-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole
CID 146392109
5-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 130333673
5-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)benzo[b]carbazole
CID 146391643
5-[4-(9,9-dimethyl-2-quinolin-7-ylindeno[1,2-b]pyrazin-3-yl)phenyl]benzo[b]carbazole
CID 137433463
7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 130333620
5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139361929
5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139362284
5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 137433938
5-[4-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole
CID 161250463
5-(4-benzo[b]carbazol-5-yl-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl)-2-[(Z)-prop-1-enyl]aniline
CID 146181811
5-[4-(3,5-diphenylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 137433547
12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 130333574

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole (CID 146391671) is 5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole is CC1(C)c2ccccc2-c2c(-c3ccc4ncccc4c3)nc(-n3c4ccccc4c4cc5ccccc5cc43)nc21.
What is the InChIKey of 5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole?
The InChIKey is ULJIVDGNEPIRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-38(2)30-15-7-5-14-28(30)34-35(26-17-18-31-25(20-26)12-9-19-39-31)40-37(41-36(34)38)42-32-16-8-6-13-27(32)29-21-23-10-3-4-11-24(23)22-33(29)42/h3-22H,1-2H3.
What are the key properties of 5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole?
5-(9,9-dimethyl-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-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-4-quinolin-6-ylindeno[2,1-d]pyrimidin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 146391671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).