9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene

C48H30 — CID 11801830

IUPAC9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
SMILESc1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)cc(-c3cc4ccccc4c4ccccc34)c1)c1ccccc12
InChIInChI=1S/C48H30/c1-4-16-37-31(13-1)28-46(43-22-10-7-19-40(37)43)34-25-35(47-29-32-14-2-5-17-38(32)41-20-8-11-23-44(41)47)27-36(26-34)48-30-33-15-3-6-18-39(33)42-21-9-12-24-45(42)48/h1-30H
InChIKeyUGBUVRINPAWYDW-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene

9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene (PubChem CID 11801830) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene.

Molecular Properties

Compound Name9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
PubChem CID11801830
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
SMILESc1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)cc(-c3cc4ccccc4c4ccccc34)c1)c1ccccc12
InChIInChI=1S/C48H30/c1-4-16-37-31(13-1)28-46(43-22-10-7-19-40(37)43)34-25-35(47-29-32-14-2-5-17-38(32)41-20-8-11-23-44(41)47)27-36(26-34)48-30-33-15-3-6-18-39(33)42-21-9-12-24-45(42)48/h1-30H
InChIKeyUGBUVRINPAWYDW-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 513.61
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

3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol
CID 89295941
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
9-(4-chloronaphthalen-2-yl)phenanthrene
CID 169007345
9-(3-methyl-5-phenylphenyl)phenanthrene
CID 156682596
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688
9-(4-iodophenyl)phenanthrene
CID 89083753
4-[3,5-di(phenanthren-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 89416703
[3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol
CID 88900775
5-[3-[3-[3-phenanthren-9-yl-5-[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 155116803
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
4-phenanthren-9-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167410426
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene?
The IUPAC name of 9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene (CID 11801830) is 9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene.
What is the SMILES notation for 9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene?
The canonical SMILES for 9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene is c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)cc(-c3cc4ccccc4c4ccccc34)c1)c1ccccc12.
What is the InChIKey of 9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene?
The InChIKey is UGBUVRINPAWYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-4-16-37-31(13-1)28-46(43-22-10-7-19-40(37)43)34-25-35(47-29-32-14-2-5-17-38(32)41-20-8-11-23-44(41)47)27-36(26-34)48-30-33-15-3-6-18-39(33)42-21-9-12-24-45(42)48/h1-30H.
What are the key properties of 9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene?
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene has a molecular weight of 606.77 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene is sourced from PubChem (CID 11801830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).