6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene

C55H38 — CID 59533044

IUPAC6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-c6cc(-c7cc8ccccc8c8c7ccc7ccccc78)cc(C7CCCC7)c6)ccc5c4)ccc-2c13
InChIInChI=1S/C55H38/c1-2-11-34(10-1)41-30-42(32-43(31-41)53-33-39-13-4-6-15-46(39)54-45-14-5-3-12-35(45)24-25-52(53)54)38-21-20-37-29-40(23-22-36(37)28-38)44-26-27-51-48-17-8-7-16-47(48)50-19-9-18-49(44)55(50)51/h3-9,12-34H,1-2,10-11H2
InChIKeyZQRKJNZFUWXEPD-UHFFFAOYSA-N
MW698.91 g/mol
LogP15.76
Rot. Bonds4

About 6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene

6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene (PubChem CID 59533044) has the molecular formula C55H38 and a molecular weight of 698.91 g/mol. Its IUPAC name is 6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene.

Molecular Properties

Compound Name6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
PubChem CID59533044
Molecular FormulaC55H38
Molecular Weight698.91 g/mol
Exact Mass698.30
IUPAC Name6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-c6cc(-c7cc8ccccc8c8c7ccc7ccccc78)cc(C7CCCC7)c6)ccc5c4)ccc-2c13
InChIInChI=1S/C55H38/c1-2-11-34(10-1)41-30-42(32-43(31-41)53-33-39-13-4-6-15-46(39)54-45-14-5-3-12-35(45)24-25-52(53)54)38-21-20-37-29-40(23-22-36(37)28-38)44-26-27-51-48-17-8-7-16-47(48)50-19-9-18-49(44)55(50)51/h3-9,12-34H,1-2,10-11H2
InChIKeyZQRKJNZFUWXEPD-UHFFFAOYSA-N
XLogP15.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.91
LogP ≤ 515.76
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

6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
CID 58544674
5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59524163
2-[6-(3-cyclohexyl-5-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244255
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
5-[7-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58544615
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
2,7-bis(3-phenylphenyl)benzo[c]phenanthrene
CID 140710635
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene?
The IUPAC name of 6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene (CID 59533044) is 6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene.
What is the SMILES notation for 6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene?
The canonical SMILES for 6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene is c1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-c6cc(-c7cc8ccccc8c8c7ccc7ccccc78)cc(C7CCCC7)c6)ccc5c4)ccc-2c13.
What is the InChIKey of 6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene?
The InChIKey is ZQRKJNZFUWXEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38/c1-2-11-34(10-1)41-30-42(32-43(31-41)53-33-39-13-4-6-15-46(39)54-45-14-5-3-12-35(45)24-25-52(53)54)38-21-20-37-29-40(23-22-36(37)28-38)44-26-27-51-48-17-8-7-16-47(48)50-19-9-18-49(44)55(50)51/h3-9,12-34H,1-2,10-11H2.
What are the key properties of 6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene?
6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene has a molecular weight of 698.91 g/mol, XLogP of 15.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyclopentyl-5-(6-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene is sourced from PubChem (CID 59533044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).