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

C170H122N10 — CID 159514496

IUPAC5-[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
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5cc(-c6cccc(-n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)c6)nc(-c6ccc(-n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)cc6)n5)cc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5cc(-c6cccc(-n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)c6)nc(-c6cccc(-n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)c6)n5)cc4)c3cc21
InChIInChI=1S/2C85H61N5/c1-83(2)68-31-13-7-25-56(68)62-43-65-59-28-10-16-34-76(59)88(79(65)46-71(62)83)53-39-37-50(38-40-53)74-49-75(51-21-19-23-54(41-51)89-77-35-17-11-29-60(77)66-44-63-57-26-8-14-32-69(57)84(3,4)72(63)47-80(66)89)87-82(86-74)52-22-20-24-55(42-52)90-78-36-18-12-30-61(78)67-45-64-58-27-9-15-33-70(58)85(5,6)73(64)48-81(67)90;1-83(2)68-28-13-7-22-56(68)62-43-65-59-25-10-16-31-76(59)88(79(65)46-71(62)83)53-38-34-50(35-39-53)74-49-75(52-20-19-21-55(42-52)90-78-33-18-12-27-61(78)67-45-64-58-24-9-15-30-70(58)85(5,6)73(64)48-81(67)90)87-82(86-74)51-36-40-54(41-37-51)89-77-32-17-11-26-60(77)66-44-63-57-23-8-14-29-69(57)84(3,4)72(63)47-80(66)89/h2*7-49H,1-6H3
InChIKeyMAZYOYVKIXSJQS-UHFFFAOYSA-N
MW2304.92 g/mol
LogP43.38
Rot. Bonds12

About 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

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 (PubChem CID 159514496) has the molecular formula C170H122N10 and a molecular weight of 2304.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID159514496
Molecular FormulaC170H122N10
Molecular Weight2304.92 g/mol
Exact Mass2302.99
IUPAC Name5-[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
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5cc(-c6cccc(-n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)c6)nc(-c6ccc(-n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)cc6)n5)cc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5cc(-c6cccc(-n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)c6)nc(-c6cccc(-n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)c6)n5)cc4)c3cc21
InChIInChI=1S/2C85H61N5/c1-83(2)68-31-13-7-25-56(68)62-43-65-59-28-10-16-34-76(59)88(79(65)46-71(62)83)53-39-37-50(38-40-53)74-49-75(51-21-19-23-54(41-51)89-77-35-17-11-29-60(77)66-44-63-57-26-8-14-32-69(57)84(3,4)72(63)47-80(66)89)87-82(86-74)52-22-20-24-55(42-52)90-78-36-18-12-30-61(78)67-45-64-58-27-9-15-33-70(58)85(5,6)73(64)48-81(67)90;1-83(2)68-28-13-7-22-56(68)62-43-65-59-25-10-16-31-76(59)88(79(65)46-71(62)83)53-38-34-50(35-39-53)74-49-75(52-20-19-21-55(42-52)90-78-33-18-12-27-61(78)67-45-64-58-24-9-15-30-70(58)85(5,6)73(64)48-81(67)90)87-82(86-74)51-36-40-54(41-37-51)89-77-32-17-11-26-60(77)66-44-63-57-23-8-14-29-69(57)84(3,4)72(63)47-80(66)89/h2*7-49H,1-6H3
InChIKeyMAZYOYVKIXSJQS-UHFFFAOYSA-N
XLogP43.38
TPSA81.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002304.92
LogP ≤ 543.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879
28-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-32,32-dimethyl-28-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22,24,26,29-pentadecaene
CID 118260515

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5cc(-c6cccc(-n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)c6)nc(-c6ccc(-n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)cc6)n5)cc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5cc(-c6cccc(-n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)c6)nc(-c6cccc(-n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)c6)n5)cc4)c3cc21.
What is the InChIKey of 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?
The InChIKey is MAZYOYVKIXSJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C85H61N5/c1-83(2)68-31-13-7-25-56(68)62-43-65-59-28-10-16-34-76(59)88(79(65)46-71(62)83)53-39-37-50(38-40-53)74-49-75(51-21-19-23-54(41-51)89-77-35-17-11-29-60(77)66-44-63-57-26-8-14-32-69(57)84(3,4)72(63)47-80(66)89)87-82(86-74)52-22-20-24-55(42-52)90-78-36-18-12-30-61(78)67-45-64-58-27-9-15-33-70(58)85(5,6)73(64)48-81(67)90;1-83(2)68-28-13-7-22-56(68)62-43-65-59-25-10-16-31-76(59)88(79(65)46-71(62)83)53-38-34-50(35-39-53)74-49-75(52-20-19-21-55(42-52)90-78-33-18-12-27-61(78)67-45-64-58-24-9-15-30-70(58)85(5,6)73(64)48-81(67)90)87-82(86-74)51-36-40-54(41-37-51)89-77-32-17-11-26-60(77)66-44-63-57-23-8-14-29-69(57)84(3,4)72(63)47-80(66)89/h2*7-49H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 2304.92 g/mol, XLogP of 43.38, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159514496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).