9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole

C53H40N4 — CID 167353778

IUPAC9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc4c3-c3ccc5ccccc5c3C43C4CC5CC(C4)CC3C5)n2)cc1
InChIInChI=1S/C53H40N4/c1-3-13-35(14-4-1)50-54-51(36-23-25-47-44(31-36)41-18-9-10-21-46(41)57(47)39-15-5-2-6-16-39)56-52(55-50)43-19-11-20-45-48(43)42-24-22-34-12-7-8-17-40(34)49(42)53(45)37-27-32-26-33(29-37)30-38(53)28-32/h1-25,31-33,37-38H,26-30H2
InChIKeyJSZXZALZGXMSIX-UHFFFAOYSA-N
MW732.93 g/mol
LogP12.85
Rot. Bonds4

About 9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole

9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole (PubChem CID 167353778) has the molecular formula C53H40N4 and a molecular weight of 732.93 g/mol. Its IUPAC name is 9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole
PubChem CID167353778
Molecular FormulaC53H40N4
Molecular Weight732.93 g/mol
Exact Mass732.33
IUPAC Name9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc4c3-c3ccc5ccccc5c3C43C4CC5CC(C4)CC3C5)n2)cc1
InChIInChI=1S/C53H40N4/c1-3-13-35(14-4-1)50-54-51(36-23-25-47-44(31-36)41-18-9-10-21-46(41)57(47)39-15-5-2-6-16-39)56-52(55-50)43-19-11-20-45-48(43)42-24-22-34-12-7-8-17-40(34)49(42)53(45)37-27-32-26-33(29-37)30-38(53)28-32/h1-25,31-33,37-38H,26-30H2
InChIKeyJSZXZALZGXMSIX-UHFFFAOYSA-N
XLogP12.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 156561672
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-9-phenylcarbazole
CID 147889742
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192
9-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166018010
3-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-adamantyl]-9-phenylcarbazole
CID 155332158
9-phenyl-3-(4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazin-2-yl)carbazole;9-phenyl-3-(4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazin-2-yl)carbazole;9-phenyl-3-(4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,3,5-triazin-2-yl)carbazole
CID 161476615
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353637
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine
CID 167353660
9-[4-[4-(11',11'-dimethylspiro[adamantane-2,12'-indeno[2,1-a]fluorene]-1'-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylcarbazole
CID 168834892
2-[4-[3-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,2'-adamantane]
CID 166017926
3-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165034164

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole (CID 167353778) is 9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc4c3-c3ccc5ccccc5c3C43C4CC5CC(C4)CC3C5)n2)cc1.
What is the InChIKey of 9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is JSZXZALZGXMSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N4/c1-3-13-35(14-4-1)50-54-51(36-23-25-47-44(31-36)41-18-9-10-21-46(41)57(47)39-15-5-2-6-16-39)56-52(55-50)43-19-11-20-45-48(43)42-24-22-34-12-7-8-17-40(34)49(42)53(45)37-27-32-26-33(29-37)30-38(53)28-32/h1-25,31-33,37-38H,26-30H2.
What are the key properties of 9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole?
9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 732.93 g/mol, XLogP of 12.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 167353778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).