11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole

C85H61N5 — CID 126630778

IUPAC11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6cccc(-n7c8ccccc8c8ccc9c(c87)C(C)(C)c7ccccc7-9)c6)nc(-c6cccc(-n7c8ccccc8c8ccc9c(c87)C(C)(C)c7ccccc7-9)c6)n5)cc4)c3c21
InChIInChI=1S/C85H61N5/c1-83(2)68-31-13-7-25-56(68)62-41-44-65-59-28-10-16-34-73(59)88(79(65)76(62)83)53-39-37-50(38-40-53)71-49-72(51-21-19-23-54(47-51)89-74-35-17-11-29-60(74)66-45-42-63-57-26-8-14-32-69(57)84(3,4)77(63)80(66)89)87-82(86-71)52-22-20-24-55(48-52)90-75-36-18-12-30-61(75)67-46-43-64-58-27-9-15-33-70(58)85(5,6)78(64)81(67)90/h7-49H,1-6H3
InChIKeyQGCXGONFYASSRN-UHFFFAOYSA-N
MW1152.46 g/mol
LogP21.69
Rot. Bonds6

About 11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole

11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole (PubChem CID 126630778) has the molecular formula C85H61N5 and a molecular weight of 1152.46 g/mol. Its IUPAC name is 11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
PubChem CID126630778
Molecular FormulaC85H61N5
Molecular Weight1152.46 g/mol
Exact Mass1151.49
IUPAC Name11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6cccc(-n7c8ccccc8c8ccc9c(c87)C(C)(C)c7ccccc7-9)c6)nc(-c6cccc(-n7c8ccccc8c8ccc9c(c87)C(C)(C)c7ccccc7-9)c6)n5)cc4)c3c21
InChIInChI=1S/C85H61N5/c1-83(2)68-31-13-7-25-56(68)62-41-44-65-59-28-10-16-34-73(59)88(79(65)76(62)83)53-39-37-50(38-40-53)71-49-72(51-21-19-23-54(47-51)89-74-35-17-11-29-60(74)66-45-42-63-57-26-8-14-32-69(57)84(3,4)77(63)80(66)89)87-82(86-71)52-22-20-24-55(48-52)90-75-36-18-12-30-61(75)67-46-43-64-58-27-9-15-33-70(58)85(5,6)78(64)81(67)90/h7-49H,1-6H3
InChIKeyQGCXGONFYASSRN-UHFFFAOYSA-N
XLogP21.69
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001152.46
LogP ≤ 521.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole with MolForge

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Related Compounds

11-[4-(3,5-diphenylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 158828400
12-[4-[2,6-bis[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630670
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
12,12-dimethyl-11-[3-(4,5,6-trimethylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole
CID 139516699
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
11-[3-[2,6-bis[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-[2,4-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-[4,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 160929846
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
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
5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,11,11-triphenylindeno[1,2-b]carbazole
CID 158475743
11-[4-[(4,6-diphenylpyrimidin-2-yl)methyl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 163915220
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731

Frequently Asked Questions

What is the IUPAC name of 11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
The IUPAC name of 11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole (CID 126630778) is 11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole.
What is the SMILES notation for 11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
The canonical SMILES for 11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6cccc(-n7c8ccccc8c8ccc9c(c87)C(C)(C)c7ccccc7-9)c6)nc(-c6cccc(-n7c8ccccc8c8ccc9c(c87)C(C)(C)c7ccccc7-9)c6)n5)cc4)c3c21.
What is the InChIKey of 11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
The InChIKey is QGCXGONFYASSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H61N5/c1-83(2)68-31-13-7-25-56(68)62-41-44-65-59-28-10-16-34-73(59)88(79(65)76(62)83)53-39-37-50(38-40-53)71-49-72(51-21-19-23-54(47-51)89-74-35-17-11-29-60(74)66-45-42-63-57-26-8-14-32-69(57)84(3,4)77(63)80(66)89)87-82(86-71)52-22-20-24-55(48-52)90-75-36-18-12-30-61(75)67-46-43-64-58-27-9-15-33-70(58)85(5,6)78(64)81(67)90/h7-49H,1-6H3.
What are the key properties of 11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole has a molecular weight of 1152.46 g/mol, XLogP of 21.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole is sourced from PubChem (CID 126630778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).