3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole]

C94H59N9 — CID 118613574

IUPAC3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole]
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)-c5ccccc5C75c6ccccc6-c6c5ccc5c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c65)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C94H59N9/c1-93(2)73-40-22-18-36-63(73)69-54-72-71-53-61(44-50-80(71)101(82(72)55-78(69)93)62-34-16-7-17-35-62)60-45-51-81-70(52-60)66-47-49-77-84(86(66)103(81)92-99-89(58-30-12-5-13-31-58)96-90(100-92)59-32-14-6-15-33-59)68-39-20-24-42-75(68)94(77)74-41-23-19-38-67(74)83-76(94)48-46-65-64-37-21-25-43-79(64)102(85(65)83)91-97-87(56-26-8-3-9-27-56)95-88(98-91)57-28-10-4-11-29-57/h3-55H,1-2H3
InChIKeyRLIDKYZBLOHKPX-UHFFFAOYSA-N
MW1314.57 g/mol
LogP22.33
Rot. Bonds8

About 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole]

3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole] (PubChem CID 118613574) has the molecular formula C94H59N9 and a molecular weight of 1314.57 g/mol. Its IUPAC name is 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole].

Molecular Properties

Compound Name3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole]
PubChem CID118613574
Molecular FormulaC94H59N9
Molecular Weight1314.57 g/mol
Exact Mass1313.49
IUPAC Name3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole]
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)-c5ccccc5C75c6ccccc6-c6c5ccc5c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c65)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C94H59N9/c1-93(2)73-40-22-18-36-63(73)69-54-72-71-53-61(44-50-80(71)101(82(72)55-78(69)93)62-34-16-7-17-35-62)60-45-51-81-70(52-60)66-47-49-77-84(86(66)103(81)92-99-89(58-30-12-5-13-31-58)96-90(100-92)59-32-14-6-15-33-59)68-39-20-24-42-75(68)94(77)74-41-23-19-38-67(74)83-76(94)48-46-65-64-37-21-25-43-79(64)102(85(65)83)91-97-87(56-26-8-3-9-27-56)95-88(98-91)57-28-10-4-11-29-57/h3-55H,1-2H3
InChIKeyRLIDKYZBLOHKPX-UHFFFAOYSA-N
XLogP22.33
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001314.57
LogP ≤ 522.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole]?
The IUPAC name of 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole] (CID 118613574) is 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole].
What is the SMILES notation for 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole]?
The canonical SMILES for 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole] is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)-c5ccccc5C75c6ccccc6-c6c5ccc5c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c65)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole]?
The InChIKey is RLIDKYZBLOHKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H59N9/c1-93(2)73-40-22-18-36-63(73)69-54-72-71-53-61(44-50-80(71)101(82(72)55-78(69)93)62-34-16-7-17-35-62)60-45-51-81-70(52-60)66-47-49-77-84(86(66)103(81)92-99-89(58-30-12-5-13-31-58)96-90(100-92)59-32-14-6-15-33-59)68-39-20-24-42-75(68)94(77)74-41-23-19-38-67(74)83-76(94)48-46-65-64-37-21-25-43-79(64)102(85(65)83)91-97-87(56-26-8-3-9-27-56)95-88(98-91)57-28-10-4-11-29-57/h3-55H,1-2H3.
What are the key properties of 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole]?
3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole] has a molecular weight of 1314.57 g/mol, XLogP of 22.33, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12,12'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[1,2-a]carbazole] is sourced from PubChem (CID 118613574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).