[(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene

C67H69N — CID 143732651

IUPAC[(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene
SMILESC/C(=C/C(C)C)c1ccccc1.CCC/C=C(\C=C(/C)c1ccc(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccccc1.CCCc1ccccc1-c1ccccc1C
InChIInChI=1S/C39H35N.C16H18.C12H16/c1-4-5-13-33(31-14-7-6-8-15-31)26-29(3)30-20-22-32(23-21-30)34-24-28(2)25-35(27-34)40-38-18-11-9-16-36(38)37-17-10-12-19-39(37)40;1-3-8-14-10-5-7-12-16(14)15-11-6-4-9-13(15)2;1-10(2)9-11(3)12-7-5-4-6-8-12/h6-27H,4-5H2,1-3H3;4-7,9-12H,3,8H2,1-2H3;4-10H,1-3H3/b29-26+,33-13+;;11-9-
InChIKeyDWILYCAWMRFYIA-MXHUEXJUSA-N
MW888.30 g/mol
LogP19.41
Rot. Bonds12

About [(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene

[(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene (PubChem CID 143732651) has the molecular formula C67H69N and a molecular weight of 888.30 g/mol. Its IUPAC name is [(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene.

Molecular Properties

Compound Name[(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene
PubChem CID143732651
Molecular FormulaC67H69N
Molecular Weight888.30 g/mol
Exact Mass887.54
IUPAC Name[(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene
SMILESC/C(=C/C(C)C)c1ccccc1.CCC/C=C(\C=C(/C)c1ccc(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccccc1.CCCc1ccccc1-c1ccccc1C
InChIInChI=1S/C39H35N.C16H18.C12H16/c1-4-5-13-33(31-14-7-6-8-15-31)26-29(3)30-20-22-32(23-21-30)34-24-28(2)25-35(27-34)40-38-18-11-9-16-36(38)37-17-10-12-19-39(37)40;1-3-8-14-10-5-7-12-16(14)15-11-6-4-9-13(15)2;1-10(2)9-11(3)12-7-5-4-6-8-12/h6-27H,4-5H2,1-3H3;4-7,9-12H,3,8H2,1-2H3;4-10H,1-3H3/b29-26+,33-13+;;11-9-
InChIKeyDWILYCAWMRFYIA-MXHUEXJUSA-N
XLogP19.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.30
LogP ≤ 519.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene with MolForge

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Related Compounds

ethane;9-[4-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]phenyl]carbazole
CID 143943145
5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole;ethane;4-methyl-3-(2-methylphenyl)pyridine
CID 143691807
1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole
CID 170372022
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline
CID 166895085
(3-carbazol-9-yl-5-methylphenyl)-triphenyl-λ4-sulfane;ethane;1-methyl-2-(2-methylphenyl)benzene
CID 145482140
9-(3-carbazol-9-yl-5-methylphenyl)-3,6-diphenylcarbazole
CID 145158092
3-[9-[3-(3,5-diphenylphenyl)-5-methylphenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144560195
5-[3-(3,5-diphenylphenyl)-5-methylphenyl]pyrido[4,3-b]indole
CID 143691808
3-[9-[3-methyl-5-(3-methylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370775
(E)-1-[4-(4-carbazol-9-ylphenyl)phenyl]hex-2-en-2-amine
CID 143224441
2-[(Z)-1-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]-9-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole
CID 89259375
3-[4-methyl-3-[2-[2-(3-phenylphenyl)butyl]phenyl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170134575

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene?
The IUPAC name of [(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene (CID 143732651) is [(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene.
What is the SMILES notation for [(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene?
The canonical SMILES for [(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene is C/C(=C/C(C)C)c1ccccc1.CCC/C=C(\C=C(/C)c1ccc(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccccc1.CCCc1ccccc1-c1ccccc1C.
What is the InChIKey of [(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene?
The InChIKey is DWILYCAWMRFYIA-MXHUEXJUSA-N. The full InChI is InChI=1S/C39H35N.C16H18.C12H16/c1-4-5-13-33(31-14-7-6-8-15-31)26-29(3)30-20-22-32(23-21-30)34-24-28(2)25-35(27-34)40-38-18-11-9-16-36(38)37-17-10-12-19-39(37)40;1-3-8-14-10-5-7-12-16(14)15-11-6-4-9-13(15)2;1-10(2)9-11(3)12-7-5-4-6-8-12/h6-27H,4-5H2,1-3H3;4-7,9-12H,3,8H2,1-2H3;4-10H,1-3H3/b29-26+,33-13+;;11-9-.
What are the key properties of [(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene?
[(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene has a molecular weight of 888.30 g/mol, XLogP of 19.41, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-methylpent-2-en-2-yl]benzene;9-[3-methyl-5-[4-[(2E,4E)-4-phenylocta-2,4-dien-2-yl]phenyl]phenyl]carbazole;1-methyl-2-(2-propylphenyl)benzene is sourced from PubChem (CID 143732651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).