7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride

C35H26Cl2Zr — CID 19384790

IUPAC7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride
SMILESC1=CCC(C(c2ccccc2)(c2ccccc2)C2c3ccccc3-c3c2ccc2ccccc32)=C1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C35H26.2ClH.Zr/c1-3-14-26(15-4-1)35(28-18-8-9-19-28,27-16-5-2-6-17-27)34-31-22-12-11-21-30(31)33-29-20-10-7-13-25(29)23-24-32(33)34;;;/h1-18,20-24,34H,19H2;2*1H;/q;;;+2/p-2
InChIKeyQTAIGFPVMIAURX-UHFFFAOYSA-L
MW608.72 g/mol
LogP2.83
Rot. Bonds4

About 7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride

7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride (PubChem CID 19384790) has the molecular formula C35H26Cl2Zr and a molecular weight of 608.72 g/mol. Its IUPAC name is 7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride.

Molecular Properties

Compound Name7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride
PubChem CID19384790
Molecular FormulaC35H26Cl2Zr
Molecular Weight608.72 g/mol
Exact Mass606.05
IUPAC Name7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride
SMILESC1=CCC(C(c2ccccc2)(c2ccccc2)C2c3ccccc3-c3c2ccc2ccccc32)=C1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C35H26.2ClH.Zr/c1-3-14-26(15-4-1)35(28-18-8-9-19-28,27-16-5-2-6-17-27)34-31-22-12-11-21-30(31)33-29-20-10-7-13-25(29)23-24-32(33)34;;;/h1-18,20-24,34H,19H2;2*1H;/q;;;+2/p-2
InChIKeyQTAIGFPVMIAURX-UHFFFAOYSA-L
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.72
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride with MolForge

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Related Compounds

12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride
CID 173283866
9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-2,7-diphenyl-9H-fluorene;zirconium
CID 173284031
9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene;zirconium(2+);dichloride
CID 18402443
7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene
CID 57155586
9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene
CID 18402444
1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene
CID 19892519
2,7-ditert-butyl-9-[cyclopenta-1,3-dien-1-yl-bis(4-fluorophenyl)methyl]-9H-fluorene
CID 170908798
7H-benzo[c]fluorene-7-carbaldehyde
CID 175577015
9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride
CID 174295322
9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride
CID 23443914
5-naphthalen-1-yl-9H-benzo[7]annulene
CID 142998872
(12S)-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-ol
CID 24766854

Frequently Asked Questions

What is the IUPAC name of 7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride?
The IUPAC name of 7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride (CID 19384790) is 7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride.
What is the SMILES notation for 7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride?
The canonical SMILES for 7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride is C1=CCC(C(c2ccccc2)(c2ccccc2)C2c3ccccc3-c3c2ccc2ccccc32)=C1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride?
The InChIKey is QTAIGFPVMIAURX-UHFFFAOYSA-L. The full InChI is InChI=1S/C35H26.2ClH.Zr/c1-3-14-26(15-4-1)35(28-18-8-9-19-28,27-16-5-2-6-17-27)34-31-22-12-11-21-30(31)33-29-20-10-7-13-25(29)23-24-32(33)34;;;/h1-18,20-24,34H,19H2;2*1H;/q;;;+2/p-2.
What are the key properties of 7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride?
7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride has a molecular weight of 608.72 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride is sourced from PubChem (CID 19384790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).