3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene

C25H19N3 — CID 102196244

IUPAC3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene
SMILESCc1cc2c3c(c4c(C)nn(-c5ccccc5)c4nc3c1C)-c1ccccc1-2
InChIInChI=1S/C25H19N3/c1-14-13-20-18-11-7-8-12-19(18)22-21-16(3)27-28(17-9-5-4-6-10-17)25(21)26-24(15(14)2)23(20)22/h4-13H,1-3H3
InChIKeyJIDVDPKDEQWQBV-UHFFFAOYSA-N
MW361.45 g/mol
LogP6.15
Rot. Bonds1

About 3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene

3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene (PubChem CID 102196244) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene
PubChem CID102196244
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene
SMILESCc1cc2c3c(c4c(C)nn(-c5ccccc5)c4nc3c1C)-c1ccccc1-2
InChIInChI=1S/C25H19N3/c1-14-13-20-18-11-7-8-12-19(18)22-21-16(3)27-28(17-9-5-4-6-10-17)25(21)26-24(15(14)2)23(20)22/h4-13H,1-3H3
InChIKeyJIDVDPKDEQWQBV-UHFFFAOYSA-N
XLogP6.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

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CID 11165952
N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 131737534
18,18'-dimethyl-16,16',20,20'-tetraphenyl-10,10'-spirobi[14,16,17-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene]
CID 164681043
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 45123383
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CID 139233399
4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
CID 17025751
2-[5-isocyano-6-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl]phenol
CID 156672541
4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
CID 126743745
(E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol
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CID 2263257

Frequently Asked Questions

What is the IUPAC name of 3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene (CID 102196244) is 3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene is Cc1cc2c3c(c4c(C)nn(-c5ccccc5)c4nc3c1C)-c1ccccc1-2.
What is the InChIKey of 3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene?
The InChIKey is JIDVDPKDEQWQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c1-14-13-20-18-11-7-8-12-19(18)22-21-16(3)27-28(17-9-5-4-6-10-17)25(21)26-24(15(14)2)23(20)22/h4-13H,1-3H3.
What are the key properties of 3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene?
3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 361.45 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,10-trimethyl-5-phenyl-4,5,7-triazapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-1,3,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 102196244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).