6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

C40H25N3 — CID 164528269

IUPAC6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
SMILESc1ccc(-c2ccccc2-c2cncc3c2c2cccc4c5c(-c6ccccc6-c6ccccc6)cncc5n3c24)cc1
InChIInChI=1S/C40H25N3/c1-3-12-26(13-4-1)28-16-7-9-18-30(28)34-22-41-24-36-38(34)32-20-11-21-33-39-35(23-42-25-37(39)43(36)40(32)33)31-19-10-8-17-29(31)27-14-5-2-6-15-27/h1-25H
InChIKeyZBYMRPDSEAMFBV-UHFFFAOYSA-N
MW547.66 g/mol
LogP10.29
Rot. Bonds4

About 6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene (PubChem CID 164528269) has the molecular formula C40H25N3 and a molecular weight of 547.66 g/mol. Its IUPAC name is 6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene.

Molecular Properties

Compound Name6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
PubChem CID164528269
Molecular FormulaC40H25N3
Molecular Weight547.66 g/mol
Exact Mass547.20
IUPAC Name6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
SMILESc1ccc(-c2ccccc2-c2cncc3c2c2cccc4c5c(-c6ccccc6-c6ccccc6)cncc5n3c24)cc1
InChIInChI=1S/C40H25N3/c1-3-12-26(13-4-1)28-16-7-9-18-30(28)34-22-41-24-36-38(34)32-20-11-21-33-39-35(23-42-25-37(39)43(36)40(32)33)31-19-10-8-17-29(31)27-14-5-2-6-15-27/h1-25H
InChIKeyZBYMRPDSEAMFBV-UHFFFAOYSA-N
XLogP10.29
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,14-dipyridin-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 146376314
9,11-bis(2,6-diphenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 164528222
9-phenyl-4-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,4-b]indole
CID 118587512
5,33-diphenyl-2,26,30,54-tetrazaheptadecacyclo[28.26.1.12,13.115,19.143,47.03,12.06,11.014,27.020,25.031,40.034,39.041,57.042,55.048,53.026,59.029,60.054,58]hexaconta-1(57),3(12),4,6,8,10,13,15,17,19(59),20,22,24,27,29(60),31(40),32,34,36,38,41,43,45,47(58),48,50,52,55-octacosaene
CID 171595279
10-dibenzothiophen-1-yl-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 164528197
10-(4-dibenzofuran-1-ylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 164528253
CID 69011285
CID 69011285
19-(2-phenylphenyl)-1-azaheptacyclo[10.10.1.02,11.03,21.04,9.016,23.017,22]tricosa-2,4,6,8,10,12(23),13,15,17(22),18,20-undecaene
CID 158816740
10-[3-(2,7-naphthyridin-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 121298172
9-phenyl-11,16-diazaoctacyclo[14.10.1.14,8.02,15.03,12.017,22.023,27.011,28]octacosa-1(26),2(15),3(12),4,6,8(28),9,13,17,19,21,23(27),24-tridecaene
CID 177285992
5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 166737595
4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 166737588

Frequently Asked Questions

What is the IUPAC name of 6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The IUPAC name of 6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene (CID 164528269) is 6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene.
What is the SMILES notation for 6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The canonical SMILES for 6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene is c1ccc(-c2ccccc2-c2cncc3c2c2cccc4c5c(-c6ccccc6-c6ccccc6)cncc5n3c24)cc1.
What is the InChIKey of 6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
The InChIKey is ZBYMRPDSEAMFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3/c1-3-12-26(13-4-1)28-16-7-9-18-30(28)34-22-41-24-36-38(34)32-20-11-21-33-39-35(23-42-25-37(39)43(36)40(32)33)31-19-10-8-17-29(31)27-14-5-2-6-15-27/h1-25H.
What are the key properties of 6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?
6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene has a molecular weight of 547.66 g/mol, XLogP of 10.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene is sourced from PubChem (CID 164528269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).