12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole

C67H48N4O — CID 146321981

IUPAC12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2c(C3NC(c4ccccc4)=NC(c4ccc(-c5ccccc5)cc4)N3)cc3c4ccccc4n(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c3c21
InChIInChI=1S/C67H48N4O/c1-66(2)52-26-12-10-25-49(52)60-51(65-69-63(43-21-7-4-8-22-43)68-64(70-65)44-35-33-42(34-36-44)41-19-5-3-6-20-41)40-50-48-24-11-16-30-57(48)71(62(50)61(60)66)45-37-38-47-46-23-9-13-27-53(46)67(56(47)39-45)54-28-14-17-31-58(54)72-59-32-18-15-29-55(59)67/h3-40,64-65,70H,1-2H3,(H,68,69)
InChIKeyHJJDBTITHOCUMW-UHFFFAOYSA-N
MW925.15 g/mol
LogP15.56
Rot. Bonds5

About 12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole

12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole (PubChem CID 146321981) has the molecular formula C67H48N4O and a molecular weight of 925.15 g/mol. Its IUPAC name is 12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole
PubChem CID146321981
Molecular FormulaC67H48N4O
Molecular Weight925.15 g/mol
Exact Mass924.38
IUPAC Name12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2c(C3NC(c4ccccc4)=NC(c4ccc(-c5ccccc5)cc4)N3)cc3c4ccccc4n(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c3c21
InChIInChI=1S/C67H48N4O/c1-66(2)52-26-12-10-25-49(52)60-51(65-69-63(43-21-7-4-8-22-43)68-64(70-65)44-35-33-42(34-36-44)41-19-5-3-6-20-41)40-50-48-24-11-16-30-57(48)71(62(50)61(60)66)45-37-38-47-46-23-9-13-27-53(46)67(56(47)39-45)54-28-14-17-31-58(54)72-59-32-18-15-29-55(59)67/h3-40,64-65,70H,1-2H3,(H,68,69)
InChIKeyHJJDBTITHOCUMW-UHFFFAOYSA-N
XLogP15.56
TPSA50.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.15
LogP ≤ 515.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole with MolForge

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Related Compounds

4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146321879
12-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 145085542
5-[4-(2-dibenzofuran-4-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
CID 145014110
2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100994
22-(9,9-dimethylfluoren-2-yl)-8-[3-[2-phenyl-6-(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 129306234
3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole
CID 155372433
2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 147530419
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880673
8-[7-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline
CID 163570159
4-[3-[4-[5-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-2-methylspiro[fluorene-9,9'-xanthene]-3'-yl]-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]benzonitrile
CID 146322016
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole?
The IUPAC name of 12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole (CID 146321981) is 12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole?
The canonical SMILES for 12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2c(C3NC(c4ccccc4)=NC(c4ccc(-c5ccccc5)cc4)N3)cc3c4ccccc4n(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c3c21.
What is the InChIKey of 12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole?
The InChIKey is HJJDBTITHOCUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N4O/c1-66(2)52-26-12-10-25-49(52)60-51(65-69-63(43-21-7-4-8-22-43)68-64(70-65)44-35-33-42(34-36-44)41-19-5-3-6-20-41)40-50-48-24-11-16-30-57(48)71(62(50)61(60)66)45-37-38-47-46-23-9-13-27-53(46)67(56(47)39-45)54-28-14-17-31-58(54)72-59-32-18-15-29-55(59)67/h3-40,64-65,70H,1-2H3,(H,68,69).
What are the key properties of 12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole?
12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole has a molecular weight of 925.15 g/mol, XLogP of 15.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-5-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-11-spiro[fluorene-9,9'-xanthene]-2-ylindeno[2,1-a]carbazole is sourced from PubChem (CID 146321981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).