14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene

C26H18ClN3 — CID 3804790

IUPAC14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene
SMILESCc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H18ClN3/c1-17-6-8-19(9-7-17)24-16-29-23-15-10-18-4-2-3-5-22(18)25(23)28-26(29)30(24)21-13-11-20(27)12-14-21/h2-16H,1H3
InChIKeyKGTBJLZJQRAJJZ-UHFFFAOYSA-N
MW407.90 g/mol
LogP7.06
Rot. Bonds2

About 14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene

14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene (PubChem CID 3804790) has the molecular formula C26H18ClN3 and a molecular weight of 407.90 g/mol. Its IUPAC name is 14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene.

Molecular Properties

Compound Name14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene
PubChem CID3804790
Molecular FormulaC26H18ClN3
Molecular Weight407.90 g/mol
Exact Mass407.12
IUPAC Name14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene
SMILESCc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H18ClN3/c1-17-6-8-19(9-7-17)24-16-29-23-15-10-18-4-2-3-5-22(18)25(23)28-26(29)30(24)21-13-11-20(27)12-14-21/h2-16H,1H3
InChIKeyKGTBJLZJQRAJJZ-UHFFFAOYSA-N
XLogP7.06
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene with MolForge

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Related Compounds

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7-[6-(4-chlorophenyl)naphthalen-2-yl]benzo[c]carbazole
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9-[4-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
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7-(4-methylphenyl)-9-naphthalen-1-ylbenzo[c]carbazole
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1,2-bis(4-methylphenyl)indole
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12-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
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1-(4-methylphenyl)-2-naphthalen-1-ylindole
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Frequently Asked Questions

What is the IUPAC name of 14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene?
The IUPAC name of 14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene (CID 3804790) is 14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene.
What is the SMILES notation for 14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene?
The canonical SMILES for 14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene is Cc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene?
The InChIKey is KGTBJLZJQRAJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3/c1-17-6-8-19(9-7-17)24-16-29-23-15-10-18-4-2-3-5-22(18)25(23)28-26(29)30(24)21-13-11-20(27)12-14-21/h2-16H,1H3.
What are the key properties of 14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene?
14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene has a molecular weight of 407.90 g/mol, XLogP of 7.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene is sourced from PubChem (CID 3804790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).