3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene

C48H32N4 — CID 147491263

IUPAC3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c7ccccc7n(c34)c56)cccc21
InChIInChI=1S/C48H32N4/c1-48(2)38-24-11-9-19-35(38)41-31(21-14-25-39(41)48)32-22-13-23-33-34-27-28-37(42-36-20-10-12-26-40(36)52(43(32)33)44(34)42)47-50-45(29-15-5-3-6-16-29)49-46(51-47)30-17-7-4-8-18-30/h3-28H,1-2H3
InChIKeyFFOLMRSTTVZINV-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.00
Rot. Bonds4

About 3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene

3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene (PubChem CID 147491263) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
PubChem CID147491263
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c7ccccc7n(c34)c56)cccc21
InChIInChI=1S/C48H32N4/c1-48(2)38-24-11-9-19-35(38)41-31(21-14-25-39(41)48)32-22-13-23-33-34-27-28-37(42-36-20-10-12-26-40(36)52(43(32)33)44(34)42)47-50-45(29-15-5-3-6-16-29)49-46(51-47)30-17-7-4-8-18-30/h3-28H,1-2H3
InChIKeyFFOLMRSTTVZINV-UHFFFAOYSA-N
XLogP12.00
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene with MolForge

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Related Compounds

3,11-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene
CID 164839328
14-[8-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenanthren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 164839327
12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165482
26-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 139570655
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 176880022
5-(9,9-dimethylfluoren-4-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole
CID 129174065
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole
CID 167378818
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene
CID 164839319
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155465836

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene?
The IUPAC name of 3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene (CID 147491263) is 3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene.
What is the SMILES notation for 3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene?
The canonical SMILES for 3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene is CC1(C)c2ccccc2-c2c(-c3cccc4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c7ccccc7n(c34)c56)cccc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene?
The InChIKey is FFOLMRSTTVZINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-48(2)38-24-11-9-19-35(38)41-31(21-14-25-39(41)48)32-22-13-23-33-34-27-28-37(42-36-20-10-12-26-40(36)52(43(32)33)44(34)42)47-50-45(29-15-5-3-6-16-29)49-46(51-47)30-17-7-4-8-18-30/h3-28H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene?
3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene has a molecular weight of 664.81 g/mol, XLogP of 12.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene is sourced from PubChem (CID 147491263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).