5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene

C41H32 — CID 143980805

IUPAC5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene
SMILESCCC/C=C\c1ccc(-c2cccc(-c3cc4cc(-c5ccccc5)c5ccccc5c4c4ccccc34)c2)cc1
InChIInChI=1S/C41H32/c1-2-3-5-13-29-22-24-30(25-23-29)32-16-12-17-33(26-32)40-28-34-27-39(31-14-6-4-7-15-31)35-18-8-10-20-37(35)41(34)38-21-11-9-19-36(38)40/h4-28H,2-3H2,1H3/b13-5-
InChIKeyFVDCUBGPLDRQBF-ACAGNQJTSA-N
MW524.71 g/mol
LogP11.96
Rot. Bonds6

About 5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene

5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene (PubChem CID 143980805) has the molecular formula C41H32 and a molecular weight of 524.71 g/mol. Its IUPAC name is 5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene.

Molecular Properties

Compound Name5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene
PubChem CID143980805
Molecular FormulaC41H32
Molecular Weight524.71 g/mol
Exact Mass524.25
IUPAC Name5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene
SMILESCCC/C=C\c1ccc(-c2cccc(-c3cc4cc(-c5ccccc5)c5ccccc5c4c4ccccc34)c2)cc1
InChIInChI=1S/C41H32/c1-2-3-5-13-29-22-24-30(25-23-29)32-16-12-17-33(26-32)40-28-34-27-39(31-14-6-4-7-15-31)35-18-8-10-20-37(35)41(34)38-21-11-9-19-36(38)40/h4-28H,2-3H2,1H3/b13-5-
InChIKeyFVDCUBGPLDRQBF-ACAGNQJTSA-N
XLogP11.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-pent-1-enyl]-3-phenylbenzene
CID 177453433
5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
CID 58526355
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956539
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
5,8-bis[2-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]benzo[c]phenanthrene;5,8-bis[2-(4-phenylphenyl)phenyl]benzo[c]phenanthrene;5,8-bis[4-(4-phenylphenyl)phenyl]benzo[c]phenanthrene
CID 158517485
9,13-bis(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-bis(6-phenylnaphthalen-2-yl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;9,13-diphenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 159768381
2,7-bis(3-phenylphenyl)benzo[c]phenanthrene
CID 140710635
N-(4-benzo[c]phenanthren-5-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 167183664
1-ethenyl-4-(4-pent-1-enylphenyl)benzene
CID 139623401
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracene
CID 140834646

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene?
The IUPAC name of 5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene (CID 143980805) is 5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene.
What is the SMILES notation for 5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene?
The canonical SMILES for 5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene is CCC/C=C\c1ccc(-c2cccc(-c3cc4cc(-c5ccccc5)c5ccccc5c4c4ccccc34)c2)cc1.
What is the InChIKey of 5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene?
The InChIKey is FVDCUBGPLDRQBF-ACAGNQJTSA-N. The full InChI is InChI=1S/C41H32/c1-2-3-5-13-29-22-24-30(25-23-29)32-16-12-17-33(26-32)40-28-34-27-39(31-14-6-4-7-15-31)35-18-8-10-20-37(35)41(34)38-21-11-9-19-36(38)40/h4-28H,2-3H2,1H3/b13-5-.
What are the key properties of 5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene?
5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene has a molecular weight of 524.71 g/mol, XLogP of 11.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[(Z)-pent-1-enyl]phenyl]phenyl]-8-phenylbenzo[c]phenanthrene is sourced from PubChem (CID 143980805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).