1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene

C41H27Cl — CID 87814844

IUPAC1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene
SMILESClC(=C(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C41H27Cl/c42-41(36-21-9-18-33-30-15-6-3-12-27(30)24-39(33)36)40(34-19-7-16-31-28-13-4-1-10-25(28)22-37(31)34)35-20-8-17-32-29-14-5-2-11-26(29)23-38(32)35/h1-21H,22-24H2
InChIKeyQSUCSWRTJDFXLT-UHFFFAOYSA-N
MW555.12 g/mol
LogP10.56
Rot. Bonds3

About 1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene

1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene (PubChem CID 87814844) has the molecular formula C41H27Cl and a molecular weight of 555.12 g/mol. Its IUPAC name is 1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene.

Molecular Properties

Compound Name1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene
PubChem CID87814844
Molecular FormulaC41H27Cl
Molecular Weight555.12 g/mol
Exact Mass554.18
IUPAC Name1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene
SMILESClC(=C(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C41H27Cl/c42-41(36-21-9-18-33-30-15-6-3-12-27(30)24-39(33)36)40(34-19-7-16-31-28-13-4-1-10-25(28)22-37(31)34)35-20-8-17-32-29-14-5-2-11-26(29)23-38(32)35/h1-21H,22-24H2
InChIKeyQSUCSWRTJDFXLT-UHFFFAOYSA-N
XLogP10.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.12
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
9H-fluorene-1-carboxamide
CID 18474131
1-(1-phenylethenyl)-9H-fluorene
CID 151698887
9H-fluoren-1-yl 2,3,3-tris(9H-fluoren-1-yl)prop-2-enoate
CID 150920620
1-hept-1-en-2-yl-9H-fluorene
CID 90871277
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434
10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate
CID 150960043
1-(9H-fluoren-1-yl)-2-methylprop-2-en-1-one;hydrate
CID 172842462
CID 123562270
CID 123562270
9H-fluoren-1-yl carbonochloridate
CID 57317054
4-(9H-fluoren-1-yl)benzene-1,2,3-triol
CID 139434157

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene?
The IUPAC name of 1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene (CID 87814844) is 1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene.
What is the SMILES notation for 1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene?
The canonical SMILES for 1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene is ClC(=C(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene?
The InChIKey is QSUCSWRTJDFXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27Cl/c42-41(36-21-9-18-33-30-15-6-3-12-27(30)24-39(33)36)40(34-19-7-16-31-28-13-4-1-10-25(28)22-37(31)34)35-20-8-17-32-29-14-5-2-11-26(29)23-38(32)35/h1-21H,22-24H2.
What are the key properties of 1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene?
1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene has a molecular weight of 555.12 g/mol, XLogP of 10.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2,2-bis(9H-fluoren-1-yl)ethenyl]-9H-fluorene is sourced from PubChem (CID 87814844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).