5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C41H29N5 — CID 162483651

IUPAC5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)n4)c3cc21
InChIInChI=1S/C41H29N5/c1-41(2)32-19-11-9-17-28(32)30-23-31-29-18-10-12-20-37(29)46(38(31)24-33(30)41)40-42-22-21-34(45-40)39-43-35(26-13-5-3-6-14-26)25-36(44-39)27-15-7-4-8-16-27/h3-25H,1-2H3
InChIKeyRBJVKAYJCGSXTC-UHFFFAOYSA-N
MW591.72 g/mol
LogP9.67
Rot. Bonds4

About 5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 162483651) has the molecular formula C41H29N5 and a molecular weight of 591.72 g/mol. Its IUPAC name is 5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID162483651
Molecular FormulaC41H29N5
Molecular Weight591.72 g/mol
Exact Mass591.24
IUPAC Name5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)n4)c3cc21
InChIInChI=1S/C41H29N5/c1-41(2)32-19-11-9-17-28(32)30-23-31-29-18-10-12-20-37(29)46(38(31)24-33(30)41)40-42-22-21-34(45-40)39-43-35(26-13-5-3-6-14-26)25-36(44-39)27-15-7-4-8-16-27/h3-25H,1-2H3
InChIKeyRBJVKAYJCGSXTC-UHFFFAOYSA-N
XLogP9.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.72
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole
CID 71235175
5-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 71234809
5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 90226957
5-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118888370
5-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 121465317
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459494
15-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459489
11,11-dimethyl-5-phenyl-2-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]indeno[1,2-b]carbazole
CID 90050448
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4-[2,6-bis[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159514496
7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 130209425
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 162483651) is 5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)n4)c3cc21.
What is the InChIKey of 5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is RBJVKAYJCGSXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N5/c1-41(2)32-19-11-9-17-28(32)30-23-31-29-18-10-12-20-37(29)46(38(31)24-33(30)41)40-42-22-21-34(45-40)39-43-35(26-13-5-3-6-14-26)25-36(44-39)27-15-7-4-8-16-27/h3-25H,1-2H3.
What are the key properties of 5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 591.72 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 162483651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).