(4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole

C46H51N — CID 142288109

IUPAC(4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole
SMILESC=C/C=C1C(=C/C)\C(C)(C)C(C=C)=C(C=C)C\1(C)C.CC.Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C25H19N.C19H26.C2H6/c1-18-12-14-24-22(16-18)23-17-20(19-8-4-2-5-9-19)13-15-25(23)26(24)21-10-6-3-7-11-21;1-9-13-17-16(12-4)18(5,6)14(10-2)15(11-3)19(17,7)8;1-2/h2-17H,1H3;9-13H,1-3H2,4-8H3;1-2H3/b;16-12+,17-13+;
InChIKeyZOVBVOWSJYNBEN-HTDAZUMUSA-N
MW617.92 g/mol
LogP13.57
Rot. Bonds5

About (4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole

(4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole (PubChem CID 142288109) has the molecular formula C46H51N and a molecular weight of 617.92 g/mol. Its IUPAC name is (4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole.

Molecular Properties

Compound Name(4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole
PubChem CID142288109
Molecular FormulaC46H51N
Molecular Weight617.92 g/mol
Exact Mass617.40
IUPAC Name(4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole
SMILESC=C/C=C1C(=C/C)\C(C)(C)C(C=C)=C(C=C)C\1(C)C.CC.Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1
InChIInChI=1S/C25H19N.C19H26.C2H6/c1-18-12-14-24-22(16-18)23-17-20(19-8-4-2-5-9-19)13-15-25(23)26(24)21-10-6-3-7-11-21;1-9-13-17-16(12-4)18(5,6)14(10-2)15(11-3)19(17,7)8;1-2/h2-17H,1H3;9-13H,1-3H2,4-8H3;1-2H3/b;16-12+,17-13+;
InChIKeyZOVBVOWSJYNBEN-HTDAZUMUSA-N
XLogP13.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.92
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole with MolForge

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Related Compounds

3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
(1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine
CID 174102073
3-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-6-phenyl-9-(4-phenylphenyl)carbazole;ethane
CID 142521150
ethane;(2E,3E)-2-ethylidene-1,4-diphenyl-5,6-bis[(Z)-prop-1-enyl]-3-prop-2-enylidenepyrazine;3-methyl-9-phenylcarbazole
CID 142288278
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3-[(2E,3Z)-2,3-di(ethylidene)-1-phenylindol-5-yl]-9-phenyl-6-(4-phenylphenyl)carbazole
CID 142521068
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241

Frequently Asked Questions

What is the IUPAC name of (4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole?
The IUPAC name of (4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole (CID 142288109) is (4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole.
What is the SMILES notation for (4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole?
The canonical SMILES for (4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole is C=C/C=C1C(=C/C)\C(C)(C)C(C=C)=C(C=C)C\1(C)C.CC.Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.
What is the InChIKey of (4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole?
The InChIKey is ZOVBVOWSJYNBEN-HTDAZUMUSA-N. The full InChI is InChI=1S/C25H19N.C19H26.C2H6/c1-18-12-14-24-22(16-18)23-17-20(19-8-4-2-5-9-19)13-15-25(23)26(24)21-10-6-3-7-11-21;1-9-13-17-16(12-4)18(5,6)14(10-2)15(11-3)19(17,7)8;1-2/h2-17H,1H3;9-13H,1-3H2,4-8H3;1-2H3/b;16-12+,17-13+;.
What are the key properties of (4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole?
(4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole has a molecular weight of 617.92 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-1,2-bis(ethenyl)-4-ethylidene-3,3,6,6-tetramethyl-5-prop-2-enylidenecyclohexene;ethane;3-methyl-6,9-diphenylcarbazole is sourced from PubChem (CID 142288109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).