6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene

C32H22N4 — CID 167188174

IUPAC6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene
SMILESCc1ccc2c3ccc4c(nc5n(-c6ccccc6)c6ccccc6n45)c3n(-c3ccccc3)c2c1
InChIInChI=1S/C32H22N4/c1-21-16-17-24-25-18-19-28-30(31(25)34(29(24)20-21)22-10-4-2-5-11-22)33-32-35(23-12-6-3-7-13-23)26-14-8-9-15-27(26)36(28)32/h2-20H,1H3
InChIKeyDFFFFPFUCOUKEQ-UHFFFAOYSA-N
MW462.56 g/mol
LogP7.84
Rot. Bonds2

About 6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene

6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene (PubChem CID 167188174) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is 6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene.

Molecular Properties

Compound Name6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene
PubChem CID167188174
Molecular FormulaC32H22N4
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC Name6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene
SMILESCc1ccc2c3ccc4c(nc5n(-c6ccccc6)c6ccccc6n45)c3n(-c3ccccc3)c2c1
InChIInChI=1S/C32H22N4/c1-21-16-17-24-25-18-19-28-30(31(25)34(29(24)20-21)22-10-4-2-5-11-22)33-32-35(23-12-6-3-7-13-23)26-14-8-9-15-27(26)36(28)32/h2-20H,1H3
InChIKeyDFFFFPFUCOUKEQ-UHFFFAOYSA-N
XLogP7.84
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene with MolForge

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Related Compounds

3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene
CID 156574320
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
2-methyl-9-phenylcarbazole
CID 59552741
9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
CID 154646612
bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene
CID 157467248
1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole
CID 159994070
7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 118504699
21-phenyl-3-spiro[8-thia-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-14,14'-8-thia-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene]-5-yl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene
CID 164714335
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
[6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane
CID 169290711
9-methylcarbazole;1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole
CID 157064367
20-(9-phenylcarbazol-3-yl)-3,9,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 159941213

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene?
The IUPAC name of 6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene (CID 167188174) is 6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene.
What is the SMILES notation for 6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene?
The canonical SMILES for 6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene is Cc1ccc2c3ccc4c(nc5n(-c6ccccc6)c6ccccc6n45)c3n(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene?
The InChIKey is DFFFFPFUCOUKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4/c1-21-16-17-24-25-18-19-28-30(31(25)34(29(24)20-21)22-10-4-2-5-11-22)33-32-35(23-12-6-3-7-13-23)26-14-8-9-15-27(26)36(28)32/h2-20H,1H3.
What are the key properties of 6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene?
6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene has a molecular weight of 462.56 g/mol, XLogP of 7.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,21-diphenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4(9),5,7,11,15,17,19,22-decaene is sourced from PubChem (CID 167188174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).