5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene

C60H36 — CID 59622690

IUPAC5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene
SMILESc1ccc2cc(-c3ccc4c(-c5cc6ccc7ccccc7c6c6ccccc56)c5ccccc5c(-c5cc6ccc7ccccc7c6c6ccccc56)c4c3)ccc2c1
InChIInChI=1S/C60H36/c1-2-16-40-33-41(28-25-37(40)13-1)42-31-32-53-56(34-42)60(55-36-44-30-27-39-15-4-6-18-46(39)58(44)50-22-10-8-20-48(50)55)52-24-12-11-23-51(52)59(53)54-35-43-29-26-38-14-3-5-17-45(38)57(43)49-21-9-7-19-47(49)54/h1-36H
InChIKeyINDHFONFVNHUKJ-UHFFFAOYSA-N
MW756.95 g/mol
LogP17.07
Rot. Bonds3

About 5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene

5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene (PubChem CID 59622690) has the molecular formula C60H36 and a molecular weight of 756.95 g/mol. Its IUPAC name is 5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene.

Molecular Properties

Compound Name5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene
PubChem CID59622690
Molecular FormulaC60H36
Molecular Weight756.95 g/mol
Exact Mass756.28
IUPAC Name5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene
SMILESc1ccc2cc(-c3ccc4c(-c5cc6ccc7ccccc7c6c6ccccc56)c5ccccc5c(-c5cc6ccc7ccccc7c6c6ccccc56)c4c3)ccc2c1
InChIInChI=1S/C60H36/c1-2-16-40-33-41(28-25-37(40)13-1)42-31-32-53-56(34-42)60(55-36-44-30-27-39-15-4-6-18-46(39)58(44)50-22-10-8-20-48(50)55)52-24-12-11-23-51(52)59(53)54-35-43-29-26-38-14-3-5-17-45(38)57(43)49-21-9-7-19-47(49)54/h1-36H
InChIKeyINDHFONFVNHUKJ-UHFFFAOYSA-N
XLogP17.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.95
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59622740
4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene
CID 159591675
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-3-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;4-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;9-phenyl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 159751343
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
2,9-dinaphthalen-2-yl-10-(2-naphthalen-1-ylphenyl)anthracene
CID 58322851
5-[10-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]anthracen-9-yl]benzo[c]phenanthrene
CID 123600813
4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;9-naphthalen-2-yl-10-phenanthren-3-ylanthracene;9-naphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-3-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;4-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;2-(10-phenylanthracen-9-yl)triphenylene
CID 167541115
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
CID 123689290
5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 140710779
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337

Frequently Asked Questions

What is the IUPAC name of 5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene?
The IUPAC name of 5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene (CID 59622690) is 5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene.
What is the SMILES notation for 5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene?
The canonical SMILES for 5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene is c1ccc2cc(-c3ccc4c(-c5cc6ccc7ccccc7c6c6ccccc56)c5ccccc5c(-c5cc6ccc7ccccc7c6c6ccccc56)c4c3)ccc2c1.
What is the InChIKey of 5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene?
The InChIKey is INDHFONFVNHUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36/c1-2-16-40-33-41(28-25-37(40)13-1)42-31-32-53-56(34-42)60(55-36-44-30-27-39-15-4-6-18-46(39)58(44)50-22-10-8-20-48(50)55)52-24-12-11-23-51(52)59(53)54-35-43-29-26-38-14-3-5-17-45(38)57(43)49-21-9-7-19-47(49)54/h1-36H.
What are the key properties of 5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene?
5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene has a molecular weight of 756.95 g/mol, XLogP of 17.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene is sourced from PubChem (CID 59622690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).