3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine

C43H37N — CID 142384982

IUPAC3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine
SMILESC=Cc1c(/C=C\C)c2ccccc2c2cc(C/C=C\C3=C(C)C4=C(CCC=C4)C3(c3ccccc3)c3cccnc3)ccc12
InChIInChI=1S/C43H37N/c1-4-15-36-34(5-2)39-26-25-31(28-40(39)38-22-10-9-21-37(36)38)16-13-24-41-30(3)35-20-11-12-23-42(35)43(41,32-17-7-6-8-18-32)33-19-14-27-44-29-33/h4-11,13-15,17-22,24-29H,2,12,16,23H2,1,3H3/b15-4-,24-13-
InChIKeyWRZPSAJHDOWMJW-OBPHADGYSA-N
MW567.78 g/mol
LogP11.13
Rot. Bonds7

About 3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine

3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine (PubChem CID 142384982) has the molecular formula C43H37N and a molecular weight of 567.78 g/mol. Its IUPAC name is 3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine.

Molecular Properties

Compound Name3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine
PubChem CID142384982
Molecular FormulaC43H37N
Molecular Weight567.78 g/mol
Exact Mass567.29
IUPAC Name3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine
SMILESC=Cc1c(/C=C\C)c2ccccc2c2cc(C/C=C\C3=C(C)C4=C(CCC=C4)C3(c3ccccc3)c3cccnc3)ccc12
InChIInChI=1S/C43H37N/c1-4-15-36-34(5-2)39-26-25-31(28-40(39)38-22-10-9-21-37(36)38)16-13-24-41-30(3)35-20-11-12-23-42(35)43(41,32-17-7-6-8-18-32)33-19-14-27-44-29-33/h4-11,13-15,17-22,24-29H,2,12,16,23H2,1,3H3/b15-4-,24-13-
InChIKeyWRZPSAJHDOWMJW-OBPHADGYSA-N
XLogP11.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.78
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline
CID 130291492
1-[(Z)-but-1-enyl]-3-cyclohexa-1,3-dien-1-yl-2-ethenyl-3-phenyl-4,5-dihydroindene
CID 144639750
[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid
CID 145237300
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
CID 145189562
N'-[N-[(E)-3-[3,3-diphenyl-1-[(Z)-prop-1-enyl]-4,5-dihydroinden-2-yl]prop-2-enyl]-C-(3-phenylphenyl)carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 146477838
2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole
CID 167015056
3-[3-[3-[7-(4-prop-2-enylphenyl)triphenylen-2-yl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 139518047
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane
CID 145327739
12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole
CID 144788021
N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine
CID 137427270
3-[(E)-3-phenylprop-2-enyl]pyridine
CID 13437688

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine?
The IUPAC name of 3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine (CID 142384982) is 3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine.
What is the SMILES notation for 3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine?
The canonical SMILES for 3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine is C=Cc1c(/C=C\C)c2ccccc2c2cc(C/C=C\C3=C(C)C4=C(CCC=C4)C3(c3ccccc3)c3cccnc3)ccc12.
What is the InChIKey of 3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine?
The InChIKey is WRZPSAJHDOWMJW-OBPHADGYSA-N. The full InChI is InChI=1S/C43H37N/c1-4-15-36-34(5-2)39-26-25-31(28-40(39)38-22-10-9-21-37(36)38)16-13-24-41-30(3)35-20-11-12-23-42(35)43(41,32-17-7-6-8-18-32)33-19-14-27-44-29-33/h4-11,13-15,17-22,24-29H,2,12,16,23H2,1,3H3/b15-4-,24-13-.
What are the key properties of 3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine?
3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine has a molecular weight of 567.78 g/mol, XLogP of 11.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(Z)-3-[10-ethenyl-9-[(Z)-prop-1-enyl]phenanthren-3-yl]prop-1-enyl]-3-methyl-1-phenyl-6,7-dihydroinden-1-yl]pyridine is sourced from PubChem (CID 142384982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).