5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

C49H34N4 — CID 130334038

IUPAC5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-c3ccccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)nc(-c3ccccc3)c21
InChIInChI=1S/C49H34N4/c1-49(2)38-25-13-9-22-35(38)46-44(49)45(31-17-5-3-6-18-31)50-48(51-46)37-24-12-16-28-41(37)53-40-27-15-11-23-36(40)43-42(53)30-29-34-33-21-10-14-26-39(33)52(47(34)43)32-19-7-4-8-20-32/h3-30H,1-2H3
InChIKeyRYISHCPFVCBOGB-UHFFFAOYSA-N
MW678.84 g/mol
LogP12.31
Rot. Bonds4

About 5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 130334038) has the molecular formula C49H34N4 and a molecular weight of 678.84 g/mol. Its IUPAC name is 5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID130334038
Molecular FormulaC49H34N4
Molecular Weight678.84 g/mol
Exact Mass678.28
IUPAC Name5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-c3ccccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)nc(-c3ccccc3)c21
InChIInChI=1S/C49H34N4/c1-49(2)38-25-13-9-22-35(38)46-44(49)45(31-17-5-3-6-18-31)50-48(51-46)37-24-12-16-28-41(37)53-40-27-15-11-23-36(40)43-42(53)30-29-34-33-21-10-14-26-39(33)52(47(34)43)32-19-7-4-8-20-32/h3-30H,1-2H3
InChIKeyRYISHCPFVCBOGB-UHFFFAOYSA-N
XLogP12.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]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

5-[2-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 130333781
5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[2-(2,6-diphenylpyrimidin-4-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 161442526
12-[3-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 130333583
5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 171414844
5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155183616
5,5-dimethyl-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100275
12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334407
5-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 146573174
2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidine
CID 118100168
5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 159927576
4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118476770

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (CID 130334038) is 5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2nc(-c3ccccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)nc(-c3ccccc3)c21.
What is the InChIKey of 5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is RYISHCPFVCBOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4/c1-49(2)38-25-13-9-22-35(38)46-44(49)45(31-17-5-3-6-18-31)50-48(51-46)37-24-12-16-28-41(37)53-40-27-15-11-23-36(40)43-42(53)30-29-34-33-21-10-14-26-39(33)52(47(34)43)32-19-7-4-8-20-32/h3-30H,1-2H3.
What are the key properties of 5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 678.84 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 130334038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).