4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

C101H63N9 — CID 126699092

IUPAC4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4-c4c(-c5ccc(-c6cccc(-c7cccc(-c8nc(-c9cccc(-c%10cccc(-c%11cccnc%11)c%10)c9)nc(-c9cccc(-c%10cccc(-c%11cccnc%11)c%10)c9)n8)c7)c6)cc5)cccc43)n2)cc1
InChIInChI=1S/C101H63N9/c1-3-22-66(23-4-1)95-104-96(67-24-5-2-6-25-67)109-100(108-95)110-91-47-12-9-40-83(91)84-52-53-90-93(94(84)110)86-42-8-11-45-88(86)101(90)87-44-10-7-41-85(87)92-82(43-19-46-89(92)101)65-50-48-64(49-51-65)68-26-13-27-69(56-68)72-30-16-35-77(59-72)97-105-98(78-36-17-31-73(60-78)70-28-14-33-75(57-70)80-38-20-54-102-62-80)107-99(106-97)79-37-18-32-74(61-79)71-29-15-34-76(58-71)81-39-21-55-103-63-81/h1-63H
InChIKeyVOSNKRDWIFTFCN-UHFFFAOYSA-N
MW1402.68 g/mol
LogP24.29
Rot. Bonds13

About 4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]

4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (PubChem CID 126699092) has the molecular formula C101H63N9 and a molecular weight of 1402.68 g/mol. Its IUPAC name is 4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole].

Molecular Properties

Compound Name4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
PubChem CID126699092
Molecular FormulaC101H63N9
Molecular Weight1402.68 g/mol
Exact Mass1401.52
IUPAC Name4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4-c4c(-c5ccc(-c6cccc(-c7cccc(-c8nc(-c9cccc(-c%10cccc(-c%11cccnc%11)c%10)c9)nc(-c9cccc(-c%10cccc(-c%11cccnc%11)c%10)c9)n8)c7)c6)cc5)cccc43)n2)cc1
InChIInChI=1S/C101H63N9/c1-3-22-66(23-4-1)95-104-96(67-24-5-2-6-25-67)109-100(108-95)110-91-47-12-9-40-83(91)84-52-53-90-93(94(84)110)86-42-8-11-45-88(86)101(90)87-44-10-7-41-85(87)92-82(43-19-46-89(92)101)65-50-48-64(49-51-65)68-26-13-27-69(56-68)72-30-16-35-77(59-72)97-105-98(78-36-17-31-73(60-78)70-28-14-33-75(57-70)80-38-20-54-102-62-80)107-99(106-97)79-37-18-32-74(61-79)71-29-15-34-76(58-71)81-39-21-55-103-63-81/h1-63H
InChIKeyVOSNKRDWIFTFCN-UHFFFAOYSA-N
XLogP24.29
TPSA108.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001402.68
LogP ≤ 524.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-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)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280
12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247348
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
12'-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014741
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
9-[4-carbazol-9-yl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742739
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
12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253795
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146632054
1-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The IUPAC name of 4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] (CID 126699092) is 4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole].
What is the SMILES notation for 4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The canonical SMILES for 4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4-c4c(-c5ccc(-c6cccc(-c7cccc(-c8nc(-c9cccc(-c%10cccc(-c%11cccnc%11)c%10)c9)nc(-c9cccc(-c%10cccc(-c%11cccnc%11)c%10)c9)n8)c7)c6)cc5)cccc43)n2)cc1.
What is the InChIKey of 4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The InChIKey is VOSNKRDWIFTFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H63N9/c1-3-22-66(23-4-1)95-104-96(67-24-5-2-6-25-67)109-100(108-95)110-91-47-12-9-40-83(91)84-52-53-90-93(94(84)110)86-42-8-11-45-88(86)101(90)87-44-10-7-41-85(87)92-82(43-19-46-89(92)101)65-50-48-64(49-51-65)68-26-13-27-69(56-68)72-30-16-35-77(59-72)97-105-98(78-36-17-31-73(60-78)70-28-14-33-75(57-70)80-38-20-54-102-62-80)107-99(106-97)79-37-18-32-74(61-79)71-29-15-34-76(58-71)81-39-21-55-103-63-81/h1-63H.
What are the key properties of 4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] has a molecular weight of 1402.68 g/mol, XLogP of 24.29, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[3-[4,6-bis[3-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 126699092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).