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

C85H61N5 — CID 126630670

IUPAC12-[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
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5cccc(-n6c7ccccc7c7ccc8c(c76)-c6ccccc6C8(C)C)c5)nc(-c5cccc(-n6c7ccccc7c7ccc8c(c76)-c6ccccc6C8(C)C)c5)n4)cc3)c21
InChIInChI=1S/C85H61N5/c1-83(2)65-31-13-7-28-62(65)76-68(83)44-41-59-56-25-10-16-34-73(56)88(79(59)76)53-39-37-50(38-40-53)71-49-72(51-21-19-23-54(47-51)89-74-35-17-11-26-57(74)60-42-45-69-77(80(60)89)63-29-8-14-32-66(63)84(69,3)4)87-82(86-71)52-22-20-24-55(48-52)90-75-36-18-12-27-58(75)61-43-46-70-78(81(61)90)64-30-9-15-33-67(64)85(70,5)6/h7-49H,1-6H3
InChIKeyKIKUGKHUYVZDLR-UHFFFAOYSA-N
MW1152.46 g/mol
LogP21.69
Rot. Bonds6

About 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

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 (PubChem CID 126630670) has the molecular formula C85H61N5 and a molecular weight of 1152.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-[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
PubChem CID126630670
Molecular FormulaC85H61N5
Molecular Weight1152.46 g/mol
Exact Mass1151.49
IUPAC Name12-[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
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5cccc(-n6c7ccccc7c7ccc8c(c76)-c6ccccc6C8(C)C)c5)nc(-c5cccc(-n6c7ccccc7c7ccc8c(c76)-c6ccccc6C8(C)C)c5)n4)cc3)c21
InChIInChI=1S/C85H61N5/c1-83(2)65-31-13-7-28-62(65)76-68(83)44-41-59-56-25-10-16-34-73(56)88(79(59)76)53-39-37-50(38-40-53)71-49-72(51-21-19-23-54(47-51)89-74-35-17-11-26-57(74)60-42-45-69-77(80(60)89)63-29-8-14-32-66(63)84(69,3)4)87-82(86-71)52-22-20-24-55(48-52)90-75-36-18-12-27-58(75)61-43-46-70-78(81(61)90)64-30-9-15-33-67(64)85(70,5)6/h7-49H,1-6H3
InChIKeyKIKUGKHUYVZDLR-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 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 with MolForge

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Related Compounds

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
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630713
12-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 149347203
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
9-[3-[2,6-bis[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126630761
22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510068
9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 135298296
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
CID 126630697
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5cccc(-n6c7ccccc7c7ccc8c(c76)-c6ccccc6C8(C)C)c5)nc(-c5cccc(-n6c7ccccc7c7ccc8c(c76)-c6ccccc6C8(C)C)c5)n4)cc3)c21.
What is the InChIKey of 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?
The InChIKey is KIKUGKHUYVZDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H61N5/c1-83(2)65-31-13-7-28-62(65)76-68(83)44-41-59-56-25-10-16-34-73(56)88(79(59)76)53-39-37-50(38-40-53)71-49-72(51-21-19-23-54(47-51)89-74-35-17-11-26-57(74)60-42-45-69-77(80(60)89)63-29-8-14-32-66(63)84(69,3)4)87-82(86-71)52-22-20-24-55(48-52)90-75-36-18-12-27-58(75)61-43-46-70-78(81(61)90)64-30-9-15-33-67(64)85(70,5)6/h7-49H,1-6H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 126630670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).