6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene

C50H30 — CID 58544674

IUPAC6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5ccc(-c6ccc(-c7cc8ccccc8c8c7ccc7ccccc78)cc6)cc5c4)ccc-2c13
InChIInChI=1S/C50H30/c1-3-10-40-33(8-1)24-25-47-48(30-36-9-2-4-11-41(36)49(40)47)34-20-16-31(17-21-34)35-22-18-32-19-23-37(29-38(32)28-35)39-26-27-46-43-13-6-5-12-42(43)45-15-7-14-44(39)50(45)46/h1-30H
InChIKeyVXMPOHZMYCETLU-UHFFFAOYSA-N
MW630.79 g/mol
LogP14.10
Rot. Bonds3

About 6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene

6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene (PubChem CID 58544674) has the molecular formula C50H30 and a molecular weight of 630.79 g/mol. Its IUPAC name is 6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene.

Molecular Properties

Compound Name6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
PubChem CID58544674
Molecular FormulaC50H30
Molecular Weight630.79 g/mol
Exact Mass630.23
IUPAC Name6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5ccc(-c6ccc(-c7cc8ccccc8c8c7ccc7ccccc78)cc6)cc5c4)ccc-2c13
InChIInChI=1S/C50H30/c1-3-10-40-33(8-1)24-25-47-48(30-36-9-2-4-11-41(36)49(40)47)34-20-16-31(17-21-34)35-22-18-32-19-23-37(29-38(32)28-35)39-26-27-46-43-13-6-5-12-42(43)45-15-7-14-44(39)50(45)46/h1-30H
InChIKeyVXMPOHZMYCETLU-UHFFFAOYSA-N
XLogP14.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 514.10
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

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
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461
3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
CID 59638777
N-(4-fluoranthen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenanthren-2-ylaniline
CID 169277560
5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59524163
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
2,7-bis(3-phenylphenyl)benzo[c]phenanthrene
CID 140710635

Frequently Asked Questions

What is the IUPAC name of 6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene?
The IUPAC name of 6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene (CID 58544674) is 6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene.
What is the SMILES notation for 6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene?
The canonical SMILES for 6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene is c1ccc2c(c1)-c1cccc3c(-c4ccc5ccc(-c6ccc(-c7cc8ccccc8c8c7ccc7ccccc78)cc6)cc5c4)ccc-2c13.
What is the InChIKey of 6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene?
The InChIKey is VXMPOHZMYCETLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30/c1-3-10-40-33(8-1)24-25-47-48(30-36-9-2-4-11-41(36)49(40)47)34-20-16-31(17-21-34)35-22-18-32-19-23-37(29-38(32)28-35)39-26-27-46-43-13-6-5-12-42(43)45-15-7-14-44(39)50(45)46/h1-30H.
What are the key properties of 6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene?
6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene has a molecular weight of 630.79 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene is sourced from PubChem (CID 58544674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).