3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole

C33H31N — CID 144609119

IUPAC3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole
SMILESC=C/C=c1/cccc/c1=C(/C)n1c(-c2ccc3ccccc3c2C(C)C)c(C)c2ccccc21
InChIInChI=1S/C33H31N/c1-6-13-25-14-7-9-17-28(25)24(5)34-31-19-12-11-16-27(31)23(4)33(34)30-21-20-26-15-8-10-18-29(26)32(30)22(2)3/h6-22H,1H2,2-5H3/b25-13-,28-24+
InChIKeyARCODUHQOPKCJC-YALUEJEMSA-N
MW441.62 g/mol
LogP7.54
Rot. Bonds4

About 3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole

3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole (PubChem CID 144609119) has the molecular formula C33H31N and a molecular weight of 441.62 g/mol. Its IUPAC name is 3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole.

Molecular Properties

Compound Name3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole
PubChem CID144609119
Molecular FormulaC33H31N
Molecular Weight441.62 g/mol
Exact Mass441.25
IUPAC Name3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole
SMILESC=C/C=c1/cccc/c1=C(/C)n1c(-c2ccc3ccccc3c2C(C)C)c(C)c2ccccc21
InChIInChI=1S/C33H31N/c1-6-13-25-14-7-9-17-28(25)24(5)34-31-19-12-11-16-27(31)23(4)33(34)30-21-20-26-15-8-10-18-29(26)32(30)22(2)3/h6-22H,1H2,2-5H3/b25-13-,28-24+
InChIKeyARCODUHQOPKCJC-YALUEJEMSA-N
XLogP7.54
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole?
The IUPAC name of 3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole (CID 144609119) is 3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole.
What is the SMILES notation for 3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole?
The canonical SMILES for 3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole is C=C/C=c1/cccc/c1=C(/C)n1c(-c2ccc3ccccc3c2C(C)C)c(C)c2ccccc21.
What is the InChIKey of 3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole?
The InChIKey is ARCODUHQOPKCJC-YALUEJEMSA-N. The full InChI is InChI=1S/C33H31N/c1-6-13-25-14-7-9-17-28(25)24(5)34-31-19-12-11-16-27(31)23(4)33(34)30-21-20-26-15-8-10-18-29(26)32(30)22(2)3/h6-22H,1H2,2-5H3/b25-13-,28-24+.
What are the key properties of 3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole?
3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole has a molecular weight of 441.62 g/mol, XLogP of 7.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-propan-2-ylnaphthalen-2-yl)-1-[(1E)-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]ethyl]indole is sourced from PubChem (CID 144609119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).