7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene

C34H20 — CID 2801807

IUPAC7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene
SMILESC(=C1c2ccccc2-c2c1ccc1ccccc21)c1cc2c3c(cccc3c1)-c1ccccc1-2
InChIInChI=1S/C34H20/c1-2-10-24-22(8-1)16-17-30-31(27-13-5-6-14-29(27)34(24)30)19-21-18-23-9-7-15-28-25-11-3-4-12-26(25)32(20-21)33(23)28/h1-20H
InChIKeyKBGHTAZKYDRVMS-UHFFFAOYSA-N
MW428.53 g/mol
LogP9.21
Rot. Bonds1

About 7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene

7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene (PubChem CID 2801807) has the molecular formula C34H20 and a molecular weight of 428.53 g/mol. Its IUPAC name is 7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene.

Molecular Properties

Compound Name7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene
PubChem CID2801807
Molecular FormulaC34H20
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene
SMILESC(=C1c2ccccc2-c2c1ccc1ccccc21)c1cc2c3c(cccc3c1)-c1ccccc1-2
InChIInChI=1S/C34H20/c1-2-10-24-22(8-1)16-17-30-31(27-13-5-6-14-29(27)34(24)30)19-21-18-23-9-7-15-28-25-11-3-4-12-26(25)32(20-21)33(23)28/h1-20H
InChIKeyKBGHTAZKYDRVMS-UHFFFAOYSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 59.21
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

Benzo[a]pyrene
CID 2336
Pyrene
CID 31423
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001

Frequently Asked Questions

What is the IUPAC name of 7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene?
The IUPAC name of 7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene (CID 2801807) is 7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene.
What is the SMILES notation for 7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene?
The canonical SMILES for 7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene is C(=C1c2ccccc2-c2c1ccc1ccccc21)c1cc2c3c(cccc3c1)-c1ccccc1-2.
What is the InChIKey of 7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene?
The InChIKey is KBGHTAZKYDRVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20/c1-2-10-24-22(8-1)16-17-30-31(27-13-5-6-14-29(27)34(24)30)19-21-18-23-9-7-15-28-25-11-3-4-12-26(25)32(20-21)33(23)28/h1-20H.
What are the key properties of 7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene?
7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene has a molecular weight of 428.53 g/mol, XLogP of 9.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene is sourced from PubChem (CID 2801807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).