9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene

C34H28 — CID 123359012

IUPAC9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene
SMILESC=CC1=C(C)C(C)(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C34H28/c1-5-25-22(2)34(3,4)31-21-24(19-20-26(25)31)33-29-17-11-9-15-27(29)32(23-13-7-6-8-14-23)28-16-10-12-18-30(28)33/h5-21H,1H2,2-4H3
InChIKeyCZPYKIYHPFOSIF-UHFFFAOYSA-N
MW436.60 g/mol
LogP9.58
Rot. Bonds3

About 9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene

9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene (PubChem CID 123359012) has the molecular formula C34H28 and a molecular weight of 436.60 g/mol. Its IUPAC name is 9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene.

Molecular Properties

Compound Name9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene
PubChem CID123359012
Molecular FormulaC34H28
Molecular Weight436.60 g/mol
Exact Mass436.22
IUPAC Name9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene
SMILESC=CC1=C(C)C(C)(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C34H28/c1-5-25-22(2)34(3,4)31-21-24(19-20-26(25)31)33-29-17-11-9-15-27(29)32(23-13-7-6-8-14-23)28-16-10-12-18-30(28)33/h5-21H,1H2,2-4H3
InChIKeyCZPYKIYHPFOSIF-UHFFFAOYSA-N
XLogP9.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182575
9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene
CID 123439671
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373

Frequently Asked Questions

What is the IUPAC name of 9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene?
The IUPAC name of 9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene (CID 123359012) is 9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene.
What is the SMILES notation for 9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene?
The canonical SMILES for 9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene is C=CC1=C(C)C(C)(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc21.
What is the InChIKey of 9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene?
The InChIKey is CZPYKIYHPFOSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28/c1-5-25-22(2)34(3,4)31-21-24(19-20-26(25)31)33-29-17-11-9-15-27(29)32(23-13-7-6-8-14-23)28-16-10-12-18-30(28)33/h5-21H,1H2,2-4H3.
What are the key properties of 9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene?
9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene has a molecular weight of 436.60 g/mol, XLogP of 9.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene is sourced from PubChem (CID 123359012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).