6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene

C35H27N5 — CID 165164098

IUPAC6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
SMILESCc1ccc2c(c1)c1cc3c4cc(C)ccc4n(-c4cccc(-n5[c-][n+](C)cc5)c4)c3nc1n2-c1ccccc1
InChIInChI=1S/C35H27N5/c1-23-12-14-32-28(18-23)30-21-31-29-19-24(2)13-15-33(29)40(27-11-7-10-26(20-27)38-17-16-37(3)22-38)35(31)36-34(30)39(32)25-8-5-4-6-9-25/h4-21H,1-3H3
InChIKeyXEXMQMDVLSOKDX-UHFFFAOYSA-N
MW517.64 g/mol
LogP7.31
Rot. Bonds3

About 6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene

6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene (PubChem CID 165164098) has the molecular formula C35H27N5 and a molecular weight of 517.64 g/mol. Its IUPAC name is 6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
PubChem CID165164098
Molecular FormulaC35H27N5
Molecular Weight517.64 g/mol
Exact Mass517.23
IUPAC Name6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
SMILESCc1ccc2c(c1)c1cc3c4cc(C)ccc4n(-c4cccc(-n5[c-][n+](C)cc5)c4)c3nc1n2-c1ccccc1
InChIInChI=1S/C35H27N5/c1-23-12-14-32-28(18-23)30-21-31-29-19-24(2)13-15-33(29)40(27-11-7-10-26(20-27)38-17-16-37(3)22-38)35(31)36-34(30)39(32)25-8-5-4-6-9-25/h4-21H,1-3H3
InChIKeyXEXMQMDVLSOKDX-UHFFFAOYSA-N
XLogP7.31
TPSA31.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.64
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene with MolForge

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Related Compounds

9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-ylphenyl)carbazole;3,6-dimethyl-9-phenylcarbazole;ethane;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159290394
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
10-[3-(benzimidazol-1-yl)phenyl]-14-(3-tert-butylphenyl)-6,18-dimethyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 165164253
2-methyl-6-phenylindolo[2,3-b]quinoline
CID 132962157
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
10-[3-[3-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 165164158
9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole
CID 170201856
5-methyl-1,2-diphenylbenzimidazole
CID 45104351
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-3,6-dimethylcarbazole;2-methyl-9-[3-(2-methylcarbazol-9-yl)phenyl]carbazole;3-methyl-9-[3-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 160993744

Frequently Asked Questions

What is the IUPAC name of 6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?
The IUPAC name of 6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene (CID 165164098) is 6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene.
What is the SMILES notation for 6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?
The canonical SMILES for 6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene is Cc1ccc2c(c1)c1cc3c4cc(C)ccc4n(-c4cccc(-n5[c-][n+](C)cc5)c4)c3nc1n2-c1ccccc1.
What is the InChIKey of 6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?
The InChIKey is XEXMQMDVLSOKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N5/c1-23-12-14-32-28(18-23)30-21-31-29-19-24(2)13-15-33(29)40(27-11-7-10-26(20-27)38-17-16-37(3)22-38)35(31)36-34(30)39(32)25-8-5-4-6-9-25/h4-21H,1-3H3.
What are the key properties of 6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene?
6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene has a molecular weight of 517.64 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-dimethyl-10-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)phenyl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene is sourced from PubChem (CID 165164098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).