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

C85H54N6 — CID 118613577

IUPAC3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole]
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)-c5ccccc5C75c6ccccc6-c6c5ccc5c7ccccc7n(-c7ccccc7)c65)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C85H54N6/c1-84(2)67-35-19-15-31-57(67)63-49-66-65-48-54(39-45-74(65)89(76(66)50-72(63)84)55-27-11-5-12-28-55)53-40-46-75-64(47-53)60-42-44-71-78(80(60)91(75)83-87-81(51-23-7-3-8-24-51)86-82(88-83)52-25-9-4-10-26-52)62-34-17-21-37-69(62)85(71)68-36-20-16-33-61(68)77-70(85)43-41-59-58-32-18-22-38-73(58)90(79(59)77)56-29-13-6-14-30-56/h3-50H,1-2H3
InChIKeyPYIGRXFISKVOFA-UHFFFAOYSA-N
MW1159.41 g/mol
LogP20.81
Rot. Bonds6

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

3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole] (PubChem CID 118613577) has the molecular formula C85H54N6 and a molecular weight of 1159.41 g/mol. Its IUPAC name is 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole].

Molecular Properties

Compound Name3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole]
PubChem CID118613577
Molecular FormulaC85H54N6
Molecular Weight1159.41 g/mol
Exact Mass1158.44
IUPAC Name3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole]
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)-c5ccccc5C75c6ccccc6-c6c5ccc5c7ccccc7n(-c7ccccc7)c65)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C85H54N6/c1-84(2)67-35-19-15-31-57(67)63-49-66-65-48-54(39-45-74(65)89(76(66)50-72(63)84)55-27-11-5-12-28-55)53-40-46-75-64(47-53)60-42-44-71-78(80(60)91(75)83-87-81(51-23-7-3-8-24-51)86-82(88-83)52-25-9-4-10-26-52)62-34-17-21-37-69(62)85(71)68-36-20-16-33-61(68)77-70(85)43-41-59-58-32-18-22-38-73(58)90(79(59)77)56-29-13-6-14-30-56/h3-50H,1-2H3
InChIKeyPYIGRXFISKVOFA-UHFFFAOYSA-N
XLogP20.81
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001159.41
LogP ≤ 520.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

12'-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 118613483
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-3'-(9-phenylcarbazol-3-yl)spiro[benzo[c]fluorene-7,7'-indeno[1,2-a]carbazole]
CID 118613583
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole];11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165100535
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
3,12-diphenyl-11-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 154596185
5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 164991274
2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335732
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'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280
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
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 163986204

Frequently Asked Questions

What is the IUPAC name of 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-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'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole] (CID 118613577) is 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-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'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-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'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole] is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)-c5ccccc5C75c6ccccc6-c6c5ccc5c7ccccc7n(-c7ccccc7)c65)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole]?
The InChIKey is PYIGRXFISKVOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H54N6/c1-84(2)67-35-19-15-31-57(67)63-49-66-65-48-54(39-45-74(65)89(76(66)50-72(63)84)55-27-11-5-12-28-55)53-40-46-75-64(47-53)60-42-44-71-78(80(60)91(75)83-87-81(51-23-7-3-8-24-51)86-82(88-83)52-25-9-4-10-26-52)62-34-17-21-37-69(62)85(71)68-36-20-16-33-61(68)77-70(85)43-41-59-58-32-18-22-38-73(58)90(79(59)77)56-29-13-6-14-30-56/h3-50H,1-2H3.
What are the key properties of 3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole]?
3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole] has a molecular weight of 1159.41 g/mol, XLogP of 20.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole] is sourced from PubChem (CID 118613577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).