9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene

C108H76 — CID 158707285

IUPAC9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
SMILESC1=C(c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c2ccccc2CC1.C1=C(c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c2ccccc2CC1.C1=C(c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2ccccc2CC1
InChIInChI=1S/C38H26.C36H26.C34H24/c1-3-15-27-25(12-1)14-11-23-31(27)37-32-19-7-9-21-34(32)38(35-22-10-8-20-33(35)37)36-24-26-13-2-4-16-28(26)29-17-5-6-18-30(29)36;1-2-11-25(12-3-1)26-21-23-28(24-22-26)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)30-20-10-14-27-13-4-5-15-29(27)30;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28/h1-10,12-13,15-24H,11,14H2;1-9,11-13,15-24H,10,14H2;1-9,11-13,15-22H,10,14H2
InChIKeyIIGSFFDLNSCSLG-UHFFFAOYSA-N
MW1373.80 g/mol
LogP29.24
Rot. Bonds7

About 9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene

9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene (PubChem CID 158707285) has the molecular formula C108H76 and a molecular weight of 1373.80 g/mol. Its IUPAC name is 9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
PubChem CID158707285
Molecular FormulaC108H76
Molecular Weight1373.80 g/mol
Exact Mass1372.59
IUPAC Name9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
SMILESC1=C(c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c2ccccc2CC1.C1=C(c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c2ccccc2CC1.C1=C(c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2ccccc2CC1
InChIInChI=1S/C38H26.C36H26.C34H24/c1-3-15-27-25(12-1)14-11-23-31(27)37-32-19-7-9-21-34(32)38(35-22-10-8-20-33(35)37)36-24-26-13-2-4-16-28(26)29-17-5-6-18-30(29)36;1-2-11-25(12-3-1)26-21-23-28(24-22-26)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)30-20-10-14-27-13-4-5-15-29(27)30;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28/h1-10,12-13,15-24H,11,14H2;1-9,11-13,15-24H,10,14H2;1-9,11-13,15-22H,10,14H2
InChIKeyIIGSFFDLNSCSLG-UHFFFAOYSA-N
XLogP29.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001373.80
LogP ≤ 529.24
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'}

Analyze 9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene with MolForge

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Related Compounds

5-[4-[10-(3,4-dihydronaphthalen-1-yl)-6-(1,2-diphenylbenzimidazol-5-yl)-9-naphthalen-1-ylanthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 163502985
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene
CID 162239926
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
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-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-10-(2-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene
CID 167706625
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
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
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
9,10-bis(2-phenylphenyl)anthracene;9,10-bis(3-phenylphenyl)anthracene;9,10-bis(4-phenylphenyl)anthracene;9,10-bis[4-(4-phenylphenyl)phenyl]anthracene;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-di(phenanthren-9-yl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-(3-phenylphenyl)-10-(4-phenylphenyl)anthracene
CID 159698405

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene?
The IUPAC name of 9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene (CID 158707285) is 9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene.
What is the SMILES notation for 9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene?
The canonical SMILES for 9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene is C1=C(c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c2ccccc2CC1.C1=C(c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c2ccccc2CC1.C1=C(c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2ccccc2CC1.
What is the InChIKey of 9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene?
The InChIKey is IIGSFFDLNSCSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26.C36H26.C34H24/c1-3-15-27-25(12-1)14-11-23-31(27)37-32-19-7-9-21-34(32)38(35-22-10-8-20-33(35)37)36-24-26-13-2-4-16-28(26)29-17-5-6-18-30(29)36;1-2-11-25(12-3-1)26-21-23-28(24-22-26)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)30-20-10-14-27-13-4-5-15-29(27)30;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28/h1-10,12-13,15-24H,11,14H2;1-9,11-13,15-24H,10,14H2;1-9,11-13,15-22H,10,14H2.
What are the key properties of 9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene?
9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene has a molecular weight of 1373.80 g/mol, XLogP of 29.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dihydronaphthalen-1-yl)-10-naphthalen-1-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-phenanthren-9-ylanthracene;9-(3,4-dihydronaphthalen-1-yl)-10-(4-phenylphenyl)anthracene is sourced from PubChem (CID 158707285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).