3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene

C50H30 — CID 58323659

IUPAC3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene
SMILESc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3c2)cc1
InChIInChI=1S/C50H30/c1-2-13-31(14-3-1)32-25-26-45-47(29-32)49(44-28-27-43-37-19-8-7-18-36(37)39-23-12-24-42(44)48(39)43)40-21-10-11-22-41(40)50(45)46-30-33-15-4-5-16-34(33)35-17-6-9-20-38(35)46/h1-30H
InChIKeyBACIXWHEQCSUAF-UHFFFAOYSA-N
MW630.79 g/mol
LogP14.10
Rot. Bonds3

About 3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene

3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene (PubChem CID 58323659) has the molecular formula C50H30 and a molecular weight of 630.79 g/mol. Its IUPAC name is 3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene.

Molecular Properties

Compound Name3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene
PubChem CID58323659
Molecular FormulaC50H30
Molecular Weight630.79 g/mol
Exact Mass630.23
IUPAC Name3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene
SMILESc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3c2)cc1
InChIInChI=1S/C50H30/c1-2-13-31(14-3-1)32-25-26-45-47(29-32)49(44-28-27-43-37-19-8-7-18-36(37)39-23-12-24-42(44)48(39)43)40-21-10-11-22-41(40)50(45)46-30-33-15-4-5-16-34(33)35-17-6-9-20-38(35)46/h1-30H
InChIKeyBACIXWHEQCSUAF-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_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-phenanthren-9-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322811
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
2-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(4-phenylphenyl)anthracene
CID 161364950
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 58309751
1-(2-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)pyrene
CID 58322883
9,10-dinaphthalen-2-yl-2-phenylanthracene;ethane;3-phenylfluoranthene;9-phenylphenanthrene;1-phenylpyrene;2-phenyltriphenylene;pentakis(yttrium)
CID 159158048
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615

Frequently Asked Questions

What is the IUPAC name of 3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene?
The IUPAC name of 3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene (CID 58323659) is 3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene.
What is the SMILES notation for 3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene?
The canonical SMILES for 3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene is c1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3c2)cc1.
What is the InChIKey of 3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene?
The InChIKey is BACIXWHEQCSUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30/c1-2-13-31(14-3-1)32-25-26-45-47(29-32)49(44-28-27-43-37-19-8-7-18-36(37)39-23-12-24-42(44)48(39)43)40-21-10-11-22-41(40)50(45)46-30-33-15-4-5-16-34(33)35-17-6-9-20-38(35)46/h1-30H.
What are the key properties of 3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene?
3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene 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 3-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)fluoranthene is sourced from PubChem (CID 58323659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).