8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C51H35N5 — CID 163871905

IUPAC8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)ccc43)nc3cccc1c23
InChIInChI=1S/C51H35N5/c1-51(2)41-20-11-9-18-37(41)40-31-46(52-43-22-13-21-42(51)47(40)43)56-44-23-12-10-19-38(44)39-30-36(28-29-45(39)56)50-54-48(34-16-7-4-8-17-34)53-49(55-50)35-26-24-33(25-27-35)32-14-5-3-6-15-32/h3-31H,1-2H3
InChIKeyPLNNPOKRWDDHSD-UHFFFAOYSA-N
MW717.88 g/mol
LogP12.49
Rot. Bonds5

About 8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 163871905) has the molecular formula C51H35N5 and a molecular weight of 717.88 g/mol. Its IUPAC name is 8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

Molecular Properties

Compound Name8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
PubChem CID163871905
Molecular FormulaC51H35N5
Molecular Weight717.88 g/mol
Exact Mass717.29
IUPAC Name8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)ccc43)nc3cccc1c23
InChIInChI=1S/C51H35N5/c1-51(2)41-20-11-9-18-37(41)40-31-46(52-43-22-13-21-42(51)47(40)43)56-44-23-12-10-19-38(44)39-30-36(28-29-45(39)56)50-54-48(34-16-7-4-8-17-34)53-49(55-50)35-26-24-33(25-27-35)32-14-5-3-6-15-32/h3-31H,1-2H3
InChIKeyPLNNPOKRWDDHSD-UHFFFAOYSA-N
XLogP12.49
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.88
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene with MolForge

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Related Compounds

15-[3,6-bis(2,6-diphenyl-4-pyridinyl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 163901716
15-[3,6-di(carbazol-9-yl)carbazol-9-yl]-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 163590697
3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325922
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
11,11-dimethyl-5-[4-(4-phenylphenyl)quinolin-2-yl]indeno[1,2-b]carbazole
CID 90076019
5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 159343293
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The IUPAC name of 8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 163871905) is 8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.
What is the SMILES notation for 8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The canonical SMILES for 8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)ccc43)nc3cccc1c23.
What is the InChIKey of 8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The InChIKey is PLNNPOKRWDDHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N5/c1-51(2)41-20-11-9-18-37(41)40-31-46(52-43-22-13-21-42(51)47(40)43)56-44-23-12-10-19-38(44)39-30-36(28-29-45(39)56)50-54-48(34-16-7-4-8-17-34)53-49(55-50)35-26-24-33(25-27-35)32-14-5-3-6-15-32/h3-31H,1-2H3.
What are the key properties of 8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene has a molecular weight of 717.88 g/mol, XLogP of 12.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-15-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is sourced from PubChem (CID 163871905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).