9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene

C44H32 — CID 144568833

IUPAC9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
SMILESC1=Cc2c(c(-c3cccc(-c4ccccc4)c3)c3ccccc3c2-c2cccc(-c3cccc(-c4ccccc4)c3)c2)CC1
InChIInChI=1S/C44H32/c1-3-14-31(15-4-1)33-18-11-20-35(28-33)36-21-13-23-38(30-36)44-41-26-9-7-24-39(41)43(40-25-8-10-27-42(40)44)37-22-12-19-34(29-37)32-16-5-2-6-17-32/h1-7,9-24,26-30H,8,25H2
InChIKeyDVUIVXWOPNBRMN-UHFFFAOYSA-N
MW560.74 g/mol
LogP12.13
Rot. Bonds5

About 9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene

9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene (PubChem CID 144568833) has the molecular formula C44H32 and a molecular weight of 560.74 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene.

Molecular Properties

Compound Name9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
PubChem CID144568833
Molecular FormulaC44H32
Molecular Weight560.74 g/mol
Exact Mass560.25
IUPAC Name9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
SMILESC1=Cc2c(c(-c3cccc(-c4ccccc4)c3)c3ccccc3c2-c2cccc(-c3cccc(-c4ccccc4)c3)c2)CC1
InChIInChI=1S/C44H32/c1-3-14-31(15-4-1)33-18-11-20-35(28-33)36-21-13-23-38(30-36)44-41-26-9-7-24-39(41)43(40-25-8-10-27-42(40)44)37-22-12-19-34(29-37)32-16-5-2-6-17-32/h1-7,9-24,26-30H,8,25H2
InChIKeyDVUIVXWOPNBRMN-UHFFFAOYSA-N
XLogP12.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.74
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 155028360
2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane
CID 142424800
dimethyl-methylidene-[4-[10-(4-phenylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]-λ5-phosphane
CID 166895339
5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
CID 143811534
2-methyl-1-phenyl-6-[4-(10-phenyl-1,2-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 129305926
8,8,14,14-tetramethyl-5-phenyl-17-(10-phenyl-3,4-dihydroanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 70886167
2-[9-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-10-(3-phenanthren-9-ylphenyl)-7,8-dihydroanthracen-2-yl]dibenzofuran
CID 146668989
8,8,14,14-tetramethyl-5-(10-phenylanthracen-9-yl)-17-(10-phenyl-1,2-dihydroanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 89065329
7-[10-(2-phenylphenyl)-3,4-dihydroanthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 144583429
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174167803
2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol
CID 88558283
5-(10-phenyl-1,2-dihydroanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 174288134

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene?
The IUPAC name of 9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene (CID 144568833) is 9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene.
What is the SMILES notation for 9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene?
The canonical SMILES for 9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene is C1=Cc2c(c(-c3cccc(-c4ccccc4)c3)c3ccccc3c2-c2cccc(-c3cccc(-c4ccccc4)c3)c2)CC1.
What is the InChIKey of 9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene?
The InChIKey is DVUIVXWOPNBRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32/c1-3-14-31(15-4-1)33-18-11-20-35(28-33)36-21-13-23-38(30-36)44-41-26-9-7-24-39(41)43(40-25-8-10-27-42(40)44)37-22-12-19-34(29-37)32-16-5-2-6-17-32/h1-7,9-24,26-30H,8,25H2.
What are the key properties of 9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene?
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene has a molecular weight of 560.74 g/mol, XLogP of 12.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene is sourced from PubChem (CID 144568833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).