N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine

C35H28N6 — CID 129200562

IUPACN-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine
SMILESCc1cc(Nc2ccncc2-c2cnccc2C)ccc1-c1ccc(-n2c3ccncc3c3cnccc32)cc1C
InChIInChI=1S/C35H28N6/c1-22-8-12-36-18-29(22)30-19-37-13-9-33(30)40-25-4-6-27(23(2)16-25)28-7-5-26(17-24(28)3)41-34-10-14-38-20-31(34)32-21-39-15-11-35(32)41/h4-21H,1-3H3,(H,37,40)
InChIKeyWQEPYVNXFYNXSQ-UHFFFAOYSA-N
MW532.65 g/mol
LogP8.37
Rot. Bonds5

About N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine

N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine (PubChem CID 129200562) has the molecular formula C35H28N6 and a molecular weight of 532.65 g/mol. Its IUPAC name is N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine
PubChem CID129200562
Molecular FormulaC35H28N6
Molecular Weight532.65 g/mol
Exact Mass532.24
IUPAC NameN-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine
SMILESCc1cc(Nc2ccncc2-c2cnccc2C)ccc1-c1ccc(-n2c3ccncc3c3cnccc32)cc1C
InChIInChI=1S/C35H28N6/c1-22-8-12-36-18-29(22)30-19-37-13-9-33(30)40-25-4-6-27(23(2)16-25)28-7-5-26(17-24(28)3)41-34-10-14-38-20-31(34)32-21-39-15-11-35(32)41/h4-21H,1-3H3,(H,37,40)
InChIKeyWQEPYVNXFYNXSQ-UHFFFAOYSA-N
XLogP8.37
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine with MolForge

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Related Compounds

5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indole
CID 163828914
8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole
CID 118245939
5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine
CID 143691807
5-[3-methyl-4-[2-methyl-4-(8-propylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-8-propylpyrido[4,3-b]indole;propane
CID 145317705
N-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-amine
CID 143613415
8-[4-[[4-[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344142
N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline
CID 118033701
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole
CID 123723589
8-[3-prop-2-enyl-4-[2-prop-2-enyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159465317
5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole
CID 59344138
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-phenyl-9-[3-[3-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole;8-[3-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158224588

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine?
The IUPAC name of N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine (CID 129200562) is N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine.
What is the SMILES notation for N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine?
The canonical SMILES for N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine is Cc1cc(Nc2ccncc2-c2cnccc2C)ccc1-c1ccc(-n2c3ccncc3c3cnccc32)cc1C.
What is the InChIKey of N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine?
The InChIKey is WQEPYVNXFYNXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N6/c1-22-8-12-36-18-29(22)30-19-37-13-9-33(30)40-25-4-6-27(23(2)16-25)28-7-5-26(17-24(28)3)41-34-10-14-38-20-31(34)32-21-39-15-11-35(32)41/h4-21H,1-3H3,(H,37,40).
What are the key properties of N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine?
N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine has a molecular weight of 532.65 g/mol, XLogP of 8.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-3-(4-methyl-3-pyridinyl)pyridin-4-amine is sourced from PubChem (CID 129200562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).