8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C54H35N3 — CID 153344900

IUPAC8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESc1ccc(-c2nc3ccccc3nc2-c2cccc(-c3cccc(-c4cc5c6c(cccc6n4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c2)cc1
InChIInChI=1S/C54H35N3/c1-4-17-36(18-5-1)52-53(57-48-31-13-12-30-47(48)56-52)40-22-15-20-38(34-40)37-19-14-21-39(33-37)50-35-44-43-27-10-11-28-45(43)54(41-23-6-2-7-24-41,42-25-8-3-9-26-42)46-29-16-32-49(55-50)51(44)46/h1-35H
InChIKeyMGEWOKKNRLXHPJ-UHFFFAOYSA-N
MW725.90 g/mol
LogP13.21
Rot. Bonds6

About 8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 153344900) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-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-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
PubChem CID153344900
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESc1ccc(-c2nc3ccccc3nc2-c2cccc(-c3cccc(-c4cc5c6c(cccc6n4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c2)cc1
InChIInChI=1S/C54H35N3/c1-4-17-36(18-5-1)52-53(57-48-31-13-12-30-47(48)56-52)40-22-15-20-38(34-40)37-19-14-21-39(33-37)50-35-44-43-27-10-11-28-45(43)54(41-23-6-2-7-24-41,42-25-8-3-9-26-42)46-29-16-32-49(55-50)51(44)46/h1-35H
InChIKeyMGEWOKKNRLXHPJ-UHFFFAOYSA-N
XLogP13.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,8-diphenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 148644834
2-(11,11-diphenylbenzo[b]fluoren-6-yl)-3-phenylquinoxaline
CID 155465410
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 134272003
bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)
CID 162253673
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 157413794
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]pyrimidine
CID 130375074
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
3-(3-phenylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621439
4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-3-phenylquinoxaline
CID 155465500

Frequently Asked Questions

What is the IUPAC name of 8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-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-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 153344900) is 8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-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-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-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-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is c1ccc(-c2nc3ccccc3nc2-c2cccc(-c3cccc(-c4cc5c6c(cccc6n4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c2)cc1.
What is the InChIKey of 8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The InChIKey is MGEWOKKNRLXHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-4-17-36(18-5-1)52-53(57-48-31-13-12-30-47(48)56-52)40-22-15-20-38(34-40)37-19-14-21-39(33-37)50-35-44-43-27-10-11-28-45(43)54(41-23-6-2-7-24-41,42-25-8-3-9-26-42)46-29-16-32-49(55-50)51(44)46/h1-35H.
What are the key properties of 8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-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 725.90 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diphenyl-15-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-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 153344900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).