ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole

C34H35N — CID 145218139

IUPACethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole
SMILESC/C=C\C(=C(C)C)c1cc(-c2cccc(-c3ccc4c(c3)[nH]c3ccccc34)c2)ccc1C.CC
InChIInChI=1S/C32H29N.C2H6/c1-5-9-27(21(2)3)30-19-25(15-14-22(30)4)23-10-8-11-24(18-23)26-16-17-29-28-12-6-7-13-31(28)33-32(29)20-26;1-2/h5-20,33H,1-4H3;1-2H3/b9-5-;
InChIKeyVNKHDXNEVKMFFS-UYTGOYFPSA-N
MW457.66 g/mol
LogP10.36
Rot. Bonds4

About ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole

ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole (PubChem CID 145218139) has the molecular formula C34H35N and a molecular weight of 457.66 g/mol. Its IUPAC name is ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole.

Molecular Properties

Compound Nameethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole
PubChem CID145218139
Molecular FormulaC34H35N
Molecular Weight457.66 g/mol
Exact Mass457.28
IUPAC Nameethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole
SMILESC/C=C\C(=C(C)C)c1cc(-c2cccc(-c3ccc4c(c3)[nH]c3ccccc34)c2)ccc1C.CC
InChIInChI=1S/C32H29N.C2H6/c1-5-9-27(21(2)3)30-19-25(15-14-22(30)4)23-10-8-11-24(18-23)26-16-17-29-28-12-6-7-13-31(28)33-32(29)20-26;1-2/h5-20,33H,1-4H3;1-2H3/b9-5-;
InChIKeyVNKHDXNEVKMFFS-UYTGOYFPSA-N
XLogP10.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 510.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylphenyl)-9H-carbazole
CID 135143847
2-triphenylen-2-yl-9H-carbazole
CID 118922949
bis(9H-carbazole);ethane
CID 145072085
4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide
CID 143165725
9H-carbazole;ethane
CID 91098062
4-[3-(4-bromophenyl)phenyl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylbenzene
CID 144640238
2-(2,5-diphenylphenyl)-9H-carbazole
CID 177269985
2-pyridin-3-yl-9H-carbazole
CID 175799429
2-(3-carbazol-9-ylphenyl)-9H-carbazole
CID 118378581
3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 122652205
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 121306334
2-[4-(1,2,2a,10b-tetrahydrocyclobuta[l]phenanthren-8-yl)phenyl]-9H-carbazole
CID 145108706

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole?
The IUPAC name of ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole (CID 145218139) is ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole.
What is the SMILES notation for ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole?
The canonical SMILES for ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole is C/C=C\C(=C(C)C)c1cc(-c2cccc(-c3ccc4c(c3)[nH]c3ccccc34)c2)ccc1C.CC.
What is the InChIKey of ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole?
The InChIKey is VNKHDXNEVKMFFS-UYTGOYFPSA-N. The full InChI is InChI=1S/C32H29N.C2H6/c1-5-9-27(21(2)3)30-19-25(15-14-22(30)4)23-10-8-11-24(18-23)26-16-17-29-28-12-6-7-13-31(28)33-32(29)20-26;1-2/h5-20,33H,1-4H3;1-2H3/b9-5-;.
What are the key properties of ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole?
ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole has a molecular weight of 457.66 g/mol, XLogP of 10.36, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole is sourced from PubChem (CID 145218139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).