3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole

C40H33N — CID 138672161

IUPAC3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole
SMILESC=Cc1c(/C=C\C)n(-c2ccc(-c3c4c(c(-c5ccccc5)c5ccccc35)C(C)CC=C4)cc2)c2ccccc12
InChIInChI=1S/C40H33N/c1-4-14-36-31(5-2)32-18-11-12-22-37(32)41(36)30-25-23-29(24-26-30)39-33-19-9-10-20-34(33)40(28-16-7-6-8-17-28)38-27(3)15-13-21-35(38)39/h4-14,16-27H,2,15H2,1,3H3/b14-4-
InChIKeyOBMLDQPITNVQEJ-CPSFFCFKSA-N
MW527.71 g/mol
LogP11.31
Rot. Bonds5

About 3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole

3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole (PubChem CID 138672161) has the molecular formula C40H33N and a molecular weight of 527.71 g/mol. Its IUPAC name is 3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole.

Molecular Properties

Compound Name3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole
PubChem CID138672161
Molecular FormulaC40H33N
Molecular Weight527.71 g/mol
Exact Mass527.26
IUPAC Name3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole
SMILESC=Cc1c(/C=C\C)n(-c2ccc(-c3c4c(c(-c5ccccc5)c5ccccc35)C(C)CC=C4)cc2)c2ccccc12
InChIInChI=1S/C40H33N/c1-4-14-36-31(5-2)32-18-11-12-22-37(32)41(36)30-25-23-29(24-26-30)39-33-19-9-10-20-34(33)40(28-16-7-6-8-17-28)38-27(3)15-13-21-35(38)39/h4-14,16-27H,2,15H2,1,3H3/b14-4-
InChIKeyOBMLDQPITNVQEJ-CPSFFCFKSA-N
XLogP11.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline
CID 143438004
N-cyclohexa-1,5-dien-1-yl-4-(4,5-diphenyl-1,2,4-triazol-3-yl)-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]aniline
CID 143825116
4-N-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 137384769
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792
N-[4-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]phenyl]-N,4-diphenylaniline
CID 170106811
9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 89302416
4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine
CID 166956954
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]carbazole
CID 155283440
5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
CID 144919540
2-(4-carbazol-9-ylphenyl)-6-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]thioxanthen-9-one;ethane;prop-1-ene
CID 145444880

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole?
The IUPAC name of 3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole (CID 138672161) is 3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole.
What is the SMILES notation for 3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole?
The canonical SMILES for 3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole is C=Cc1c(/C=C\C)n(-c2ccc(-c3c4c(c(-c5ccccc5)c5ccccc35)C(C)CC=C4)cc2)c2ccccc12.
What is the InChIKey of 3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole?
The InChIKey is OBMLDQPITNVQEJ-CPSFFCFKSA-N. The full InChI is InChI=1S/C40H33N/c1-4-14-36-31(5-2)32-18-11-12-22-37(32)41(36)30-25-23-29(24-26-30)39-33-19-9-10-20-34(33)40(28-16-7-6-8-17-28)38-27(3)15-13-21-35(38)39/h4-14,16-27H,2,15H2,1,3H3/b14-4-.
What are the key properties of 3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole?
3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole has a molecular weight of 527.71 g/mol, XLogP of 11.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-[4-(4-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-2-[(Z)-prop-1-enyl]indole is sourced from PubChem (CID 138672161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).