5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole

C85H57N5 — CID 134237091

IUPAC5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1nc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)n1
InChIInChI=1S/C85H57N5/c1-85(2)73-36-16-12-32-66(73)69-42-45-81-82(83(69)85)70-35-15-19-39-78(70)90(81)84-86-74(59-27-20-26-56(46-59)63-48-61(54-22-6-3-7-23-54)47-62(49-63)55-24-8-4-9-25-55)53-75(87-84)60-28-21-31-65(50-60)89-77-38-18-14-34-68(77)72-52-58(41-44-80(72)89)57-40-43-79-71(51-57)67-33-13-17-37-76(67)88(79)64-29-10-5-11-30-64/h3-53H,1-2H3
InChIKeyQEZZAQXJUYTYTB-UHFFFAOYSA-N
MW1148.43 g/mol
LogP22.08
Rot. Bonds9

About 5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole

5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 134237091) has the molecular formula C85H57N5 and a molecular weight of 1148.43 g/mol. Its IUPAC name is 5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole.

Molecular Properties

Compound Name5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
PubChem CID134237091
Molecular FormulaC85H57N5
Molecular Weight1148.43 g/mol
Exact Mass1147.46
IUPAC Name5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1nc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)n1
InChIInChI=1S/C85H57N5/c1-85(2)73-36-16-12-32-66(73)69-42-45-81-82(83(69)85)70-35-15-19-39-78(70)90(81)84-86-74(59-27-20-26-56(46-59)63-48-61(54-22-6-3-7-23-54)47-62(49-63)55-24-8-4-9-25-55)53-75(87-84)60-28-21-31-65(50-60)89-77-38-18-14-34-68(77)72-52-58(41-44-80(72)89)57-40-43-79-71(51-57)67-33-13-17-37-76(67)88(79)64-29-10-5-11-30-64/h3-53H,1-2H3
InChIKeyQEZZAQXJUYTYTB-UHFFFAOYSA-N
XLogP22.08
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001148.43
LogP ≤ 522.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-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

12,12-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-c]carbazole
CID 169014734
5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134237084
5-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole
CID 66805080
5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126632761
5-[3-[2,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126630735
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
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
9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole
CID 134237011
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 134236668
5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158120881
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole?
The IUPAC name of 5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole (CID 134237091) is 5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole.
What is the SMILES notation for 5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole?
The canonical SMILES for 5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1nc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)n1.
What is the InChIKey of 5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole?
The InChIKey is QEZZAQXJUYTYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H57N5/c1-85(2)73-36-16-12-32-66(73)69-42-45-81-82(83(69)85)70-35-15-19-39-78(70)90(81)84-86-74(59-27-20-26-56(46-59)63-48-61(54-22-6-3-7-23-54)47-62(49-63)55-24-8-4-9-25-55)53-75(87-84)60-28-21-31-65(50-60)89-77-38-18-14-34-68(77)72-52-58(41-44-80(72)89)57-40-43-79-71(51-57)67-33-13-17-37-76(67)88(79)64-29-10-5-11-30-64/h3-53H,1-2H3.
What are the key properties of 5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole?
5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole has a molecular weight of 1148.43 g/mol, XLogP of 22.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole is sourced from PubChem (CID 134237091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).