6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane

C29H29N — CID 145354871

IUPAC6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane
SMILESC/C=C\C=C/c1cc2cccc3c4cccc(-c5ccc(C)cc5)c4n1c23.CCC
InChIInChI=1S/C26H21N.C3H8/c1-3-4-5-9-21-17-20-8-6-11-23-24-12-7-10-22(26(24)27(21)25(20)23)19-15-13-18(2)14-16-19;1-3-2/h3-17H,1-2H3;3H2,1-2H3/b4-3-,9-5-;
InChIKeyZDWNAGQQQCFJMB-UPOARCEASA-N
MW391.56 g/mol
LogP8.66
Rot. Bonds3

About 6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane

6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane (PubChem CID 145354871) has the molecular formula C29H29N and a molecular weight of 391.56 g/mol. Its IUPAC name is 6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane.

Molecular Properties

Compound Name6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane
PubChem CID145354871
Molecular FormulaC29H29N
Molecular Weight391.56 g/mol
Exact Mass391.23
IUPAC Name6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane
SMILESC/C=C\C=C/c1cc2cccc3c4cccc(-c5ccc(C)cc5)c4n1c23.CCC
InChIInChI=1S/C26H21N.C3H8/c1-3-4-5-9-21-17-20-8-6-11-23-24-12-7-10-22(26(24)27(21)25(20)23)19-15-13-18(2)14-16-19;1-3-2/h3-17H,1-2H3;3H2,1-2H3/b4-3-,9-5-;
InChIKeyZDWNAGQQQCFJMB-UPOARCEASA-N
XLogP8.66
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane with MolForge

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Related Compounds

2,10-bis(4-methylphenyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene
CID 90367815
CID 87935572
CID 87935572
8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene
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4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene
CID 143893585
N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 145390574
9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
6-bromo-9-ethyl-1-phenylcarbazole
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N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108
1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone
CID 102291757
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane?
The IUPAC name of 6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane (CID 145354871) is 6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane.
What is the SMILES notation for 6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane?
The canonical SMILES for 6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane is C/C=C\C=C/c1cc2cccc3c4cccc(-c5ccc(C)cc5)c4n1c23.CCC.
What is the InChIKey of 6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane?
The InChIKey is ZDWNAGQQQCFJMB-UPOARCEASA-N. The full InChI is InChI=1S/C26H21N.C3H8/c1-3-4-5-9-21-17-20-8-6-11-23-24-12-7-10-22(26(24)27(21)25(20)23)19-15-13-18(2)14-16-19;1-3-2/h3-17H,1-2H3;3H2,1-2H3/b4-3-,9-5-;.
What are the key properties of 6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane?
6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane has a molecular weight of 391.56 g/mol, XLogP of 8.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-9-[(1Z,3Z)-penta-1,3-dienyl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene;propane is sourced from PubChem (CID 145354871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).