9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene

C44H36 — CID 171415308

IUPAC9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene
SMILESCC(C)c1ccc2c(-c3cc4ccccc4c4ccccc34)c3cc(C(C)C)ccc3c(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C44H36/c1-27(2)30-21-23-39-41(24-30)43(37-19-11-14-29-12-5-7-15-33(29)37)38-22-20-31(28(3)4)25-42(38)44(39)40-26-32-13-6-8-16-34(32)35-17-9-10-18-36(35)40/h5-28H,1-4H3
InChIKeyFKBDKQOBJRRWTK-UHFFFAOYSA-N
MW564.77 g/mol
LogP13.03
Rot. Bonds4

About 9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene

9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene (PubChem CID 171415308) has the molecular formula C44H36 and a molecular weight of 564.77 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene
PubChem CID171415308
Molecular FormulaC44H36
Molecular Weight564.77 g/mol
Exact Mass564.28
IUPAC Name9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene
SMILESCC(C)c1ccc2c(-c3cc4ccccc4c4ccccc34)c3cc(C(C)C)ccc3c(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C44H36/c1-27(2)30-21-23-39-41(24-30)43(37-19-11-14-29-12-5-7-15-33(29)37)38-22-20-31(28(3)4)25-42(38)44(39)40-26-32-13-6-8-16-34(32)35-17-9-10-18-36(35)40/h5-28H,1-4H3
InChIKeyFKBDKQOBJRRWTK-UHFFFAOYSA-N
XLogP13.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.77
LogP ≤ 513.03
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

9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
2,6-diethyl-9,10-bis(3-propan-2-ylphenanthren-9-yl)anthracene
CID 171415334
3-propan-2-ylchrysene
CID 54288405
9-[4-(10-naphthalen-1-yl-2-propan-2-ylanthracen-9-yl)phenyl]carbazole
CID 143920796
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124
7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
CID 59412654
1-(2-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)pyrene
CID 58322883
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene
CID 58322783
10-methyl-2-propan-2-ylphenanthrene
CID 613068
2,9-dinaphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-2,10-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2,9,10-trinaphthalen-2-ylanthracene
CID 158406092
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene (CID 171415308) is 9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene is CC(C)c1ccc2c(-c3cc4ccccc4c4ccccc34)c3cc(C(C)C)ccc3c(-c3cccc4ccccc34)c2c1.
What is the InChIKey of 9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene?
The InChIKey is FKBDKQOBJRRWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36/c1-27(2)30-21-23-39-41(24-30)43(37-19-11-14-29-12-5-7-15-33(29)37)38-22-20-31(28(3)4)25-42(38)44(39)40-26-32-13-6-8-16-34(32)35-17-9-10-18-36(35)40/h5-28H,1-4H3.
What are the key properties of 9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene?
9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene has a molecular weight of 564.77 g/mol, XLogP of 13.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene is sourced from PubChem (CID 171415308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).