12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene]

C61H49N3 — CID 121304216

IUPAC12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene]
SMILESCc1ccc(CCC23c4ccccc4CCN2c2c(C)nnc(C)c2C32c3cc(-c4ccccc4)c(-c4ccccc4)cc3-c3cc(-c4ccccc4)c(-c4ccccc4)cc32)cc1
InChIInChI=1S/C61H49N3/c1-40-28-30-43(31-29-40)32-34-60-55-27-17-16-26-48(55)33-35-64(60)59-42(3)63-62-41(2)58(59)61(60)56-38-51(46-22-12-6-13-23-46)49(44-18-8-4-9-19-44)36-53(56)54-37-50(45-20-10-5-11-21-45)52(39-57(54)61)47-24-14-7-15-25-47/h4-31,36-39H,32-35H2,1-3H3
InChIKeyPLFRCYDKVXKVBL-UHFFFAOYSA-N
MW824.08 g/mol
LogP14.29
Rot. Bonds7

About 12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene]

12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene] (PubChem CID 121304216) has the molecular formula C61H49N3 and a molecular weight of 824.08 g/mol. Its IUPAC name is 12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene].

Molecular Properties

Compound Name12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene]
PubChem CID121304216
Molecular FormulaC61H49N3
Molecular Weight824.08 g/mol
Exact Mass823.39
IUPAC Name12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene]
SMILESCc1ccc(CCC23c4ccccc4CCN2c2c(C)nnc(C)c2C32c3cc(-c4ccccc4)c(-c4ccccc4)cc3-c3cc(-c4ccccc4)c(-c4ccccc4)cc32)cc1
InChIInChI=1S/C61H49N3/c1-40-28-30-43(31-29-40)32-34-60-55-27-17-16-26-48(55)33-35-64(60)59-42(3)63-62-41(2)58(59)61(60)56-38-51(46-22-12-6-13-23-46)49(44-18-8-4-9-19-44)36-53(56)54-37-50(45-20-10-5-11-21-45)52(39-57(54)61)47-24-14-7-15-25-47/h4-31,36-39H,32-35H2,1-3H3
InChIKeyPLFRCYDKVXKVBL-UHFFFAOYSA-N
XLogP14.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.08
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene] with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene]?
The IUPAC name of 12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene] (CID 121304216) is 12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene].
What is the SMILES notation for 12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene]?
The canonical SMILES for 12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene] is Cc1ccc(CCC23c4ccccc4CCN2c2c(C)nnc(C)c2C32c3cc(-c4ccccc4)c(-c4ccccc4)cc3-c3cc(-c4ccccc4)c(-c4ccccc4)cc32)cc1.
What is the InChIKey of 12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene]?
The InChIKey is PLFRCYDKVXKVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49N3/c1-40-28-30-43(31-29-40)32-34-60-55-27-17-16-26-48(55)33-35-64(60)59-42(3)63-62-41(2)58(59)61(60)56-38-51(46-22-12-6-13-23-46)49(44-18-8-4-9-19-44)36-53(56)54-37-50(45-20-10-5-11-21-45)52(39-57(54)61)47-24-14-7-15-25-47/h4-31,36-39H,32-35H2,1-3H3.
What are the key properties of 12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene]?
12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene] has a molecular weight of 824.08 g/mol, XLogP of 14.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15-dimethyl-1-[2-(4-methylphenyl)ethyl]-2',3',6',7'-tetraphenylspiro[10,13,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-17,9'-fluorene] is sourced from PubChem (CID 121304216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).