6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene

C38H26N2 — CID 139192401

IUPAC6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene
SMILESCc1cc2c(-c3ccccc3)c(-c3ccccc3)c3c[n-]c4c(-c5ccccc5)c(-c5ccccc5)c(c1)c2[n+]34
InChIInChI=1S/C38H26N2/c1-25-22-30-33(26-14-6-2-7-15-26)35(28-18-10-4-11-19-28)32-24-39-38-36(29-20-12-5-13-21-29)34(27-16-8-3-9-17-27)31(23-25)37(30)40(32)38/h2-24H,1H3
InChIKeyMWROHGLOHJSCBI-UHFFFAOYSA-N
MW510.64 g/mol
LogP9.10
Rot. Bonds4

About 6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene

6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene (PubChem CID 139192401) has the molecular formula C38H26N2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene.

Molecular Properties

Compound Name6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene
PubChem CID139192401
Molecular FormulaC38H26N2
Molecular Weight510.64 g/mol
Exact Mass510.21
IUPAC Name6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene
SMILESCc1cc2c(-c3ccccc3)c(-c3ccccc3)c3c[n-]c4c(-c5ccccc5)c(-c5ccccc5)c(c1)c2[n+]34
InChIInChI=1S/C38H26N2/c1-25-22-30-33(26-14-6-2-7-15-26)35(28-18-10-4-11-19-28)32-24-39-38-36(29-20-12-5-13-21-29)34(27-16-8-3-9-17-27)31(23-25)37(30)40(32)38/h2-24H,1H3
InChIKeyMWROHGLOHJSCBI-UHFFFAOYSA-N
XLogP9.10
TPSA18.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene 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-fluoro-2,3,9,10-tetraphenyl-15-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 132561638
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
2,9-dimethyl-10-phenylanthracene
CID 58435289
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
2,3,8-trimethyl-12-(4-methylphenyl)-5,11-diphenyl-6-(2,4,6-trimethylphenyl)tetracene
CID 162426532
2,7-dimethyl-1,4-diphenylnaphthalene
CID 46919192
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
9-chloro-2,6-dimethyl-10-phenylanthracene
CID 58351152
2,5-dimethyl-12-phenyltetracene
CID 160669382
6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium
CID 134911742
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene?
The IUPAC name of 6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene (CID 139192401) is 6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene.
What is the SMILES notation for 6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene?
The canonical SMILES for 6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene is Cc1cc2c(-c3ccccc3)c(-c3ccccc3)c3c[n-]c4c(-c5ccccc5)c(-c5ccccc5)c(c1)c2[n+]34.
What is the InChIKey of 6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene?
The InChIKey is MWROHGLOHJSCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2/c1-25-22-30-33(26-14-6-2-7-15-26)35(28-18-10-4-11-19-28)32-24-39-38-36(29-20-12-5-13-21-29)34(27-16-8-3-9-17-27)31(23-25)37(30)40(32)38/h2-24H,1H3.
What are the key properties of 6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene?
6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene has a molecular weight of 510.64 g/mol, XLogP of 9.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,9,10-tetraphenyl-14-azonia-12-azanidatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene is sourced from PubChem (CID 139192401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).