8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene

C33H30N6 — CID 138723192

IUPAC8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
SMILESCC1(C)c2ccccc2N2c3nc(-c4cccnc4)c(-c4cccnc4)nc3N(c3ccccc3)C2C1(C)C
InChIInChI=1S/C33H30N6/c1-32(2)25-16-8-9-17-26(25)39-30-29(38(31(39)33(32,3)4)24-14-6-5-7-15-24)36-27(22-12-10-18-34-20-22)28(37-30)23-13-11-19-35-21-23/h5-21,31H,1-4H3
InChIKeyJTSSXAKEPYHKRT-UHFFFAOYSA-N
MW510.65 g/mol
LogP7.53
Rot. Bonds3

About 8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene

8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene (PubChem CID 138723192) has the molecular formula C33H30N6 and a molecular weight of 510.65 g/mol. Its IUPAC name is 8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene.

Molecular Properties

Compound Name8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
PubChem CID138723192
Molecular FormulaC33H30N6
Molecular Weight510.65 g/mol
Exact Mass510.25
IUPAC Name8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
SMILESCC1(C)c2ccccc2N2c3nc(-c4cccnc4)c(-c4cccnc4)nc3N(c3ccccc3)C2C1(C)C
InChIInChI=1S/C33H30N6/c1-32(2)25-16-8-9-17-26(25)39-30-29(38(31(39)33(32,3)4)24-14-6-5-7-15-24)36-27(22-12-10-18-34-20-22)28(37-30)23-13-11-19-35-21-23/h5-21,31H,1-4H3
InChIKeyJTSSXAKEPYHKRT-UHFFFAOYSA-N
XLogP7.53
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.65
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene with MolForge

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Related Compounds

(10R)-8-fluoro-8,9,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 144724858
10,10-dimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene
CID 144782319
8-ethenyl-8,9,9-trimethyl-11-(2-phenylphenyl)-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
CID 138752032
8-ethenyl-8,9,9-trimethyl-11-(2-phenylphenyl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 137410585
8,9,9-trimethyl-11-phenyl-8-prop-2-enyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 138605300
9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine
CID 130326840
2,4-dimethyl-18-phenyl-11,13,18-triazapentacyclo[9.7.0.02,4.05,10.012,17]octadeca-5,7,9,12(17),13,15-hexaene
CID 144714038
CID 163717376
CID 163717376
8-ethenyl-8,9-diethyl-9-methyl-11-phenyl-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
CID 123689717
N-[4-[(9aS)-4a-methyl-9-phenyl-9aH-carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
CID 137427924
ethene;10,10,14-trimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11(16),12,14-hexaene
CID 144782442
10,10-dimethyl-8-(2-methylphenyl)-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene;ethane
CID 145283629

Frequently Asked Questions

What is the IUPAC name of 8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?
The IUPAC name of 8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene (CID 138723192) is 8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene.
What is the SMILES notation for 8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?
The canonical SMILES for 8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene is CC1(C)c2ccccc2N2c3nc(-c4cccnc4)c(-c4cccnc4)nc3N(c3ccccc3)C2C1(C)C.
What is the InChIKey of 8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?
The InChIKey is JTSSXAKEPYHKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N6/c1-32(2)25-16-8-9-17-26(25)39-30-29(38(31(39)33(32,3)4)24-14-6-5-7-15-24)36-27(22-12-10-18-34-20-22)28(37-30)23-13-11-19-35-21-23/h5-21,31H,1-4H3.
What are the key properties of 8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene?
8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene has a molecular weight of 510.65 g/mol, XLogP of 7.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9,9-tetramethyl-11-phenyl-14,15-dipyridin-3-yl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene is sourced from PubChem (CID 138723192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).