9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene

C50H32 — CID 153307348

IUPAC9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene
SMILESC1=Cc2cccc3c2C(C1)c1cc(-c2c4ccccc4c(-c4cccc(-c5cccc6c5ccc5ccccc56)c4)c4ccccc24)ccc1-3
InChIInChI=1S/C50H32/c1-2-16-36-31(11-1)25-27-39-37(21-10-22-38(36)39)33-14-7-15-34(29-33)49-42-17-3-5-19-44(42)50(45-20-6-4-18-43(45)49)35-26-28-40-41-23-8-12-32-13-9-24-46(48(32)41)47(40)30-35/h1-23,25-30,46H,24H2
InChIKeyWOLXFQBFYADBLV-UHFFFAOYSA-N
MW632.81 g/mol
LogP13.83
Rot. Bonds3

About 9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene

9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene (PubChem CID 153307348) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene.

Molecular Properties

Compound Name9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene
PubChem CID153307348
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene
SMILESC1=Cc2cccc3c2C(C1)c1cc(-c2c4ccccc4c(-c4cccc(-c5cccc6c5ccc5ccccc56)c4)c4ccccc24)ccc1-3
InChIInChI=1S/C50H32/c1-2-16-36-31(11-1)25-27-39-37(21-10-22-38(36)39)33-14-7-15-34(29-33)49-42-17-3-5-19-44(42)50(45-20-6-4-18-43(45)49)35-26-28-40-41-23-8-12-32-13-9-24-46(48(32)41)47(40)30-35/h1-23,25-30,46H,24H2
InChIKeyWOLXFQBFYADBLV-UHFFFAOYSA-N
XLogP13.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 513.83
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-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
CID 58194379
9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837293
octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,24-tetradecaene
CID 143667795
9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58151254
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-2-yl-10-(3-phenylphenyl)anthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene
CID 157305293
9-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenanthren-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenanthren-3-ylphenyl)anthracene
CID 165110015
9-naphthalen-2-yl-10-phenanthren-2-yl-2,6-diphenylanthracene;2-naphthalen-2-yl-9-phenanthren-2-yl-10-phenylanthracene;9-(3-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-2-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-2-ylanthracene;9-phenanthren-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-phenanthren-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 158515822
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene
CID 163943634
2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]triphenylene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]triphenylene;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene
CID 157295942

Frequently Asked Questions

What is the IUPAC name of 9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene?
The IUPAC name of 9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene (CID 153307348) is 9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene.
What is the SMILES notation for 9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene?
The canonical SMILES for 9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene is C1=Cc2cccc3c2C(C1)c1cc(-c2c4ccccc4c(-c4cccc(-c5cccc6c5ccc5ccccc56)c4)c4ccccc24)ccc1-3.
What is the InChIKey of 9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene?
The InChIKey is WOLXFQBFYADBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-16-36-31(11-1)25-27-39-37(21-10-22-38(36)39)33-14-7-15-34(29-33)49-42-17-3-5-19-44(42)50(45-20-6-4-18-43(45)49)35-26-28-40-41-23-8-12-32-13-9-24-46(48(32)41)47(40)30-35/h1-23,25-30,46H,24H2.
What are the key properties of 9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene?
9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene has a molecular weight of 632.81 g/mol, XLogP of 13.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(3-phenanthren-1-ylphenyl)anthracen-9-yl]-1,10b-dihydrofluoranthene is sourced from PubChem (CID 153307348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).