12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]

C53H34N4 — CID 90253795

IUPAC12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(-c5ccccc5)cccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C53H34N4/c1-33-27-29-36(30-28-33)51-54-50(35-17-6-3-7-18-35)55-52(56-51)57-48-37(34-15-4-2-5-16-34)22-14-23-40(48)41-31-32-46-47(49(41)57)42-21-10-13-26-45(42)53(46)43-24-11-8-19-38(43)39-20-9-12-25-44(39)53/h2-32H,1H3
InChIKeyJUQAFAGDUIRXKO-UHFFFAOYSA-N
MW726.88 g/mol
LogP12.62
Rot. Bonds4

About 12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]

12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole] (PubChem CID 90253795) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole].

Molecular Properties

Compound Name12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
PubChem CID90253795
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(-c5ccccc5)cccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C53H34N4/c1-33-27-29-36(30-28-33)51-54-50(35-17-6-3-7-18-35)55-52(56-51)57-48-37(34-15-4-2-5-16-34)22-14-23-40(48)41-31-32-46-47(49(41)57)42-21-10-13-26-45(42)53(46)43-24-11-8-19-38(43)39-20-9-12-25-44(39)53/h2-32H,1H3
InChIKeyJUQAFAGDUIRXKO-UHFFFAOYSA-N
XLogP12.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280
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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
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'-[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
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
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
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
3'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 154602219
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
2-(4-methylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 171844757

Frequently Asked Questions

What is the IUPAC name of 12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The IUPAC name of 12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole] (CID 90253795) is 12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole].
What is the SMILES notation for 12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The canonical SMILES for 12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole] is Cc1ccc(-c2nc(-c3ccccc3)nc(-n3c4c(-c5ccccc5)cccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
The InChIKey is JUQAFAGDUIRXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-33-27-29-36(30-28-33)51-54-50(35-17-6-3-7-18-35)55-52(56-51)57-48-37(34-15-4-2-5-16-34)22-14-23-40(48)41-31-32-46-47(49(41)57)42-21-10-13-26-45(42)53(46)43-24-11-8-19-38(43)39-20-9-12-25-44(39)53/h2-32H,1H3.
What are the key properties of 12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]?
12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole] has a molecular weight of 726.88 g/mol, XLogP of 12.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12'-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 90253795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).