1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole

C53H60N2 — CID 143423752

IUPAC1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole
SMILESC/C=C\c1c(CC)c(CC)c(/C=C\C)n1-c1ccc(-c2ccc(Cc3ccc(C4=CCC(n5c(/C=C\C)c(CC)c(CC)c5/C=C\C)C=C4)cc3)cc2)cc1
InChIInChI=1S/C53H60N2/c1-9-17-50-46(13-5)47(14-6)51(18-10-2)54(50)44-33-29-42(30-34-44)40-25-21-38(22-26-40)37-39-23-27-41(28-24-39)43-31-35-45(36-32-43)55-52(19-11-3)48(15-7)49(16-8)53(55)20-12-4/h9-12,17-35,45H,13-16,36-37H2,1-8H3/b17-9-,18-10-,19-11-,20-12-
InChIKeyOXIRLIYKKHQREF-MQDKSMIDSA-N
MW725.08 g/mol
LogP14.50
Rot. Bonds14

About 1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole

1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole (PubChem CID 143423752) has the molecular formula C53H60N2 and a molecular weight of 725.08 g/mol. Its IUPAC name is 1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole.

Molecular Properties

Compound Name1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole
PubChem CID143423752
Molecular FormulaC53H60N2
Molecular Weight725.08 g/mol
Exact Mass724.48
IUPAC Name1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole
SMILESC/C=C\c1c(CC)c(CC)c(/C=C\C)n1-c1ccc(-c2ccc(Cc3ccc(C4=CCC(n5c(/C=C\C)c(CC)c(CC)c5/C=C\C)C=C4)cc3)cc2)cc1
InChIInChI=1S/C53H60N2/c1-9-17-50-46(13-5)47(14-6)51(18-10-2)54(50)44-33-29-42(30-34-44)40-25-21-38(22-26-40)37-39-23-27-41(28-24-39)43-31-35-45(36-32-43)55-52(19-11-3)48(15-7)49(16-8)53(55)20-12-4/h9-12,17-35,45H,13-16,36-37H2,1-8H3/b17-9-,18-10-,19-11-,20-12-
InChIKeyOXIRLIYKKHQREF-MQDKSMIDSA-N
XLogP14.50
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.08
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole with MolForge

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Related Compounds

1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
CID 176777881
N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline
CID 143310257
ethane;3-ethyl-1-[4-[[3-[(4-methylphenyl)methyl]-5-[(3E)-penta-1,3-dien-3-yl]phenyl]methyl]phenyl]-2-[(Z)-prop-1-enyl]indole
CID 143035784
9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole
CID 143388730
9-[4-[4-[4-(2,3-dihydroindol-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]carbazole
CID 163674769
1-decyl-4-[4-(4-methylcyclohexyl)cyclohexa-1,5-dien-1-yl]benzene
CID 19005633
(4-ethylcyclohexa-1,5-dien-1-yl)benzene
CID 143614396
9-[4-[2-(4-carbazol-9-ylcyclohexa-1,5-dien-1-yl)-5-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 143103822
3-[3-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-9-(4-methylcyclohepta-1,6-dien-1-yl)carbazole
CID 143700195
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 139447207
3-carbazol-9-yl-5-[4-[3-ethyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
CID 146339497
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole?
The IUPAC name of 1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole (CID 143423752) is 1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole.
What is the SMILES notation for 1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole?
The canonical SMILES for 1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole is C/C=C\c1c(CC)c(CC)c(/C=C\C)n1-c1ccc(-c2ccc(Cc3ccc(C4=CCC(n5c(/C=C\C)c(CC)c(CC)c5/C=C\C)C=C4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole?
The InChIKey is OXIRLIYKKHQREF-MQDKSMIDSA-N. The full InChI is InChI=1S/C53H60N2/c1-9-17-50-46(13-5)47(14-6)51(18-10-2)54(50)44-33-29-42(30-34-44)40-25-21-38(22-26-40)37-39-23-27-41(28-24-39)43-31-35-45(36-32-43)55-52(19-11-3)48(15-7)49(16-8)53(55)20-12-4/h9-12,17-35,45H,13-16,36-37H2,1-8H3/b17-9-,18-10-,19-11-,20-12-.
What are the key properties of 1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole?
1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole has a molecular weight of 725.08 g/mol, XLogP of 14.50, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole is sourced from PubChem (CID 143423752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).