6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine

C26H23N5 — CID 122377737

IUPAC6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine
SMILESCc1ccc(-c2c3c(N)c4c(nc3nc3c2c(C)nn3-c2ccccc2)CCC4)cc1
InChIInChI=1S/C26H23N5/c1-15-11-13-17(14-12-15)22-21-16(2)30-31(18-7-4-3-5-8-18)26(21)29-25-23(22)24(27)19-9-6-10-20(19)28-25/h3-5,7-8,11-14H,6,9-10H2,1-2H3,(H2,27,28,29)
InChIKeyHVHHMLUWRJLVHA-UHFFFAOYSA-N
MW405.51 g/mol
LogP5.32
Rot. Bonds2

About 6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine

6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine (PubChem CID 122377737) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is 6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine.

Molecular Properties

Compound Name6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine
PubChem CID122377737
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC Name6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine
SMILESCc1ccc(-c2c3c(N)c4c(nc3nc3c2c(C)nn3-c2ccccc2)CCC4)cc1
InChIInChI=1S/C26H23N5/c1-15-11-13-17(14-12-15)22-21-16(2)30-31(18-7-4-3-5-8-18)26(21)29-25-23(22)24(27)19-9-6-10-20(19)28-25/h3-5,7-8,11-14H,6,9-10H2,1-2H3,(H2,27,28,29)
InChIKeyHVHHMLUWRJLVHA-UHFFFAOYSA-N
XLogP5.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine with MolForge

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Related Compounds

13-methyl-11-(4-methylphenyl)-15-phenyl-2,14,15,17-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,13,16-hexaen-9-amine
CID 122377736
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CID 139233387
3-methyl-4-(4-nitrophenyl)-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233397
4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
CID 127243784
4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233396
5-amino-4-(4-methylphenyl)-2-phenylsulfanyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
CID 53243464
4-(2,4-dichlorophenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233399
8-(4-methoxyphenyl)-6,12-dimethyl-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,12-pentaen-10-one
CID 155808502
19-(4-methoxyphenyl)-14-methyl-16-phenyl-15,16,18-triazatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene
CID 53472994
6-methyl-8-(4-methylsulfanylphenyl)-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraene-10,12-dione
CID 135653384
6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
4-(4-chlorophenyl)-3,7,7-trimethyl-1-phenyl-6,8-dihydropyrazolo[3,4-b]quinolin-5-one
CID 53243028

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine?
The IUPAC name of 6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine (CID 122377737) is 6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine.
What is the SMILES notation for 6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine?
The canonical SMILES for 6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine is Cc1ccc(-c2c3c(N)c4c(nc3nc3c2c(C)nn3-c2ccccc2)CCC4)cc1.
What is the InChIKey of 6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine?
The InChIKey is HVHHMLUWRJLVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c1-15-11-13-17(14-12-15)22-21-16(2)30-31(18-7-4-3-5-8-18)26(21)29-25-23(22)24(27)19-9-6-10-20(19)28-25/h3-5,7-8,11-14H,6,9-10H2,1-2H3,(H2,27,28,29).
What are the key properties of 6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine?
6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine has a molecular weight of 405.51 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(4-methylphenyl)-4-phenyl-2,4,5,16-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-10-amine is sourced from PubChem (CID 122377737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).