(3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole

C27H35N — CID 161280737

IUPAC(3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole
SMILESC=c1/c(=C(/C)c2c(C)c(C)c(C)c(C)c2C)c2c(C)c(C)c(C)c(C)c2n1C
InChIInChI=1S/C27H35N/c1-13-14(2)18(6)24(19(7)15(13)3)22(10)25-23(11)28(12)27-21(9)17(5)16(4)20(8)26(25)27/h11H2,1-10,12H3/b25-22+
InChIKeyCEONPNPLQXDALX-YYDJUVGSSA-N
MW373.58 g/mol
LogP5.58
Rot. Bonds1

About (3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole

(3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole (PubChem CID 161280737) has the molecular formula C27H35N and a molecular weight of 373.58 g/mol. Its IUPAC name is (3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole.

Molecular Properties

Compound Name(3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole
PubChem CID161280737
Molecular FormulaC27H35N
Molecular Weight373.58 g/mol
Exact Mass373.28
IUPAC Name(3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole
SMILESC=c1/c(=C(/C)c2c(C)c(C)c(C)c(C)c2C)c2c(C)c(C)c(C)c(C)c2n1C
InChIInChI=1S/C27H35N/c1-13-14(2)18(6)24(19(7)15(13)3)22(10)25-23(11)28(12)27-21(9)17(5)16(4)20(8)26(25)27/h11H2,1-10,12H3/b25-22+
InChIKeyCEONPNPLQXDALX-YYDJUVGSSA-N
XLogP5.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

molecular iodine;(3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole
CID 161280736
1,2,3,4,5,7,8,9-octamethyl-6-(3-methylbut-2-en-2-yl)carbazole
CID 23527720
methane;1,2,3,4,5,6,7,8,9-nonamethylcarbazole
CID 158365814
4-(1,2,4,5,6,7-hexamethylindol-3-yl)-4-hydroxybut-3-en-2-one
CID 72612053
1,3,4,5,6,7-hexamethylindole-2-carboxylic acid
CID 18735240
1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole
CID 23527710
1,2,3,4,5,6,8,9-octamethyl-7-[(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methyl]carbazole
CID 129087204
1,2,3,4,6,7-hexamethyl-5-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246608
1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246621
4,5,6,7,8,9,10-heptamethyl-2,3-dihydro-1H-pyrrolo[3,4-b]carbazole
CID 58773403
1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole
CID 20653325
3-(1,2,4,5,6,7-hexamethylindol-3-yl)propanoic acid
CID 21339087

Frequently Asked Questions

What is the IUPAC name of (3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole?
The IUPAC name of (3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole (CID 161280737) is (3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole.
What is the SMILES notation for (3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole?
The canonical SMILES for (3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole is C=c1/c(=C(/C)c2c(C)c(C)c(C)c(C)c2C)c2c(C)c(C)c(C)c(C)c2n1C.
What is the InChIKey of (3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole?
The InChIKey is CEONPNPLQXDALX-YYDJUVGSSA-N. The full InChI is InChI=1S/C27H35N/c1-13-14(2)18(6)24(19(7)15(13)3)22(10)25-23(11)28(12)27-21(9)17(5)16(4)20(8)26(25)27/h11H2,1-10,12H3/b25-22+.
What are the key properties of (3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole?
(3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole has a molecular weight of 373.58 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1,4,5,6,7-pentamethyl-2-methylidene-3-[1-(2,3,4,5,6-pentamethylphenyl)ethylidene]indole is sourced from PubChem (CID 161280737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).