6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine

C48H44N2O2Si — CID 58098960

IUPAC6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2cc3c4ccccc4c(N(c4ccc(OC)cc4)c4ccc([Si](C)(C)C)cc4)cc3c3ccccc23)cc1
InChIInChI=1S/C48H44N2O2Si/c1-33-15-17-34(18-16-33)49(35-19-25-38(51-2)26-20-35)47-31-45-42-12-8-10-14-44(42)48(32-46(45)41-11-7-9-13-43(41)47)50(36-21-27-39(52-3)28-22-36)37-23-29-40(30-24-37)53(4,5)6/h7-32H,1-6H3
InChIKeyJVZTYDPPHIQVBU-UHFFFAOYSA-N
MW708.98 g/mol
LogP12.96
Rot. Bonds9

About 6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine

6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine (PubChem CID 58098960) has the molecular formula C48H44N2O2Si and a molecular weight of 708.98 g/mol. Its IUPAC name is 6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine.

Molecular Properties

Compound Name6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
PubChem CID58098960
Molecular FormulaC48H44N2O2Si
Molecular Weight708.98 g/mol
Exact Mass708.32
IUPAC Name6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2cc3c4ccccc4c(N(c4ccc(OC)cc4)c4ccc([Si](C)(C)C)cc4)cc3c3ccccc23)cc1
InChIInChI=1S/C48H44N2O2Si/c1-33-15-17-34(18-16-33)49(35-19-25-38(51-2)26-20-35)47-31-45-42-12-8-10-14-44(42)48(32-46(45)41-11-7-9-13-43(41)47)50(36-21-27-39(52-3)28-22-36)37-23-29-40(30-24-37)53(4,5)6/h7-32H,1-6H3
InChIKeyJVZTYDPPHIQVBU-UHFFFAOYSA-N
XLogP12.96
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.98
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine 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-N-(4-methylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098964
6-N,12-N-bis(3,5-diethylphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098957
9-N,9-N,20-N,20-N-tetrakis(4-methylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene-9,20-diamine
CID 59805356
6-N,12-N-bis(4-methylphenyl)-6-N-phenyl-12-N-(4-phenylphenyl)chrysene-6,12-diamine
CID 137470587
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530
4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263126
5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine
CID 174084078
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 101381671
4,9-dimethoxy-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine
CID 59308978
3,15-bis(4-methoxyphenyl)-20-trimethylsilyl-N,N-bis(4-trimethylsilylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine
CID 142700188
2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 59793119
6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-triphenylsilylphenyl)chrysene-6,12-diamine
CID 140926347

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine?
The IUPAC name of 6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine (CID 58098960) is 6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine.
What is the SMILES notation for 6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine?
The canonical SMILES for 6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine is COc1ccc(N(c2ccc(C)cc2)c2cc3c4ccccc4c(N(c4ccc(OC)cc4)c4ccc([Si](C)(C)C)cc4)cc3c3ccccc23)cc1.
What is the InChIKey of 6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine?
The InChIKey is JVZTYDPPHIQVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44N2O2Si/c1-33-15-17-34(18-16-33)49(35-19-25-38(51-2)26-20-35)47-31-45-42-12-8-10-14-44(42)48(32-46(45)41-11-7-9-13-43(41)47)50(36-21-27-39(52-3)28-22-36)37-23-29-40(30-24-37)53(4,5)6/h7-32H,1-6H3.
What are the key properties of 6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine?
6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine has a molecular weight of 708.98 g/mol, XLogP of 12.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine is sourced from PubChem (CID 58098960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).