11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]

C52H32N4 — CID 156559628

IUPAC11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cc5c6ccccc6n(-c6ccccc6)c5cc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C52H32N4/c1-4-17-33(18-5-1)49-53-50(34-19-6-2-7-20-34)55-51(54-49)39-26-16-29-44-48(39)41-31-40-38-25-12-15-30-46(38)56(35-21-8-3-9-22-35)47(40)32-45(41)52(44)42-27-13-10-23-36(42)37-24-11-14-28-43(37)52/h1-32H
InChIKeyGMUZYTISEWGZLV-UHFFFAOYSA-N
MW712.86 g/mol
LogP12.31
Rot. Bonds4

About 11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]

11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole] (PubChem CID 156559628) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole].

Molecular Properties

Compound Name11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
PubChem CID156559628
Molecular FormulaC52H32N4
Molecular Weight712.86 g/mol
Exact Mass712.26
IUPAC Name11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cc5c6ccccc6n(-c6ccccc6)c5cc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C52H32N4/c1-4-17-33(18-5-1)49-53-50(34-19-6-2-7-20-34)55-51(54-49)39-26-16-29-44-48(39)41-31-40-38-25-12-15-30-46(38)56(35-21-8-3-9-22-35)47(40)32-45(41)52(44)42-27-13-10-23-36(42)37-24-11-14-28-43(37)52/h1-32H
InChIKeyGMUZYTISEWGZLV-UHFFFAOYSA-N
XLogP12.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.86
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 168836616
11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 156559742
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
10-phenyl-3'-(9-phenylcarbazol-2-yl)-5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 153224438
9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 90059498
5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288851
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879
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-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721

Frequently Asked Questions

What is the IUPAC name of 11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The IUPAC name of 11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole] (CID 156559628) is 11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole].
What is the SMILES notation for 11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The canonical SMILES for 11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole] is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cc5c6ccccc6n(-c6ccccc6)c5cc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
The InChIKey is GMUZYTISEWGZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-4-17-33(18-5-1)49-53-50(34-19-6-2-7-20-34)55-51(54-49)39-26-16-29-44-48(39)41-31-40-38-25-12-15-30-46(38)56(35-21-8-3-9-22-35)47(40)32-45(41)52(44)42-27-13-10-23-36(42)37-24-11-14-28-43(37)52/h1-32H.
What are the key properties of 11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]?
11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole] has a molecular weight of 712.86 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 156559628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).