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

C38H24O2 — CID 174288134

IUPAC5-(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
SMILESC1=Cc2c(c(-c3cccc4c3oc3c4ccc4c5ccccc5oc43)c3ccccc3c2-c2ccccc2)CC1
InChIInChI=1S/C38H24O2/c1-2-11-23(12-3-1)34-25-14-4-6-16-27(25)35(28-17-7-5-15-26(28)34)32-19-10-18-29-31-22-21-30-24-13-8-9-20-33(24)39-37(30)38(31)40-36(29)32/h1-6,8-16,18-22H,7,17H2
InChIKeyWFKJCSOUIMRTGW-UHFFFAOYSA-N
MW512.61 g/mol
LogP10.93
Rot. Bonds2

About 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

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 (PubChem CID 174288134) has the molecular formula C38H24O2 and a molecular weight of 512.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID174288134
Molecular FormulaC38H24O2
Molecular Weight512.61 g/mol
Exact Mass512.18
IUPAC Name5-(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
SMILESC1=Cc2c(c(-c3cccc4c3oc3c4ccc4c5ccccc5oc43)c3ccccc3c2-c2ccccc2)CC1
InChIInChI=1S/C38H24O2/c1-2-11-23(12-3-1)34-25-14-4-6-16-27(25)35(28-17-7-5-15-26(28)34)32-19-10-18-29-31-22-21-30-24-13-8-9-20-33(24)39-37(30)38(31)40-36(29)32/h1-6,8-16,18-22H,7,17H2
InChIKeyWFKJCSOUIMRTGW-UHFFFAOYSA-N
XLogP10.93
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol
CID 163725515
4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran
CID 145295470
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 122415610
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205350
7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205865
16-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185277

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=Cc2c(c(-c3cccc4c3oc3c4ccc4c5ccccc5oc43)c3ccccc3c2-c2ccccc2)CC1.
What is the InChIKey of 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?
The InChIKey is WFKJCSOUIMRTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O2/c1-2-11-23(12-3-1)34-25-14-4-6-16-27(25)35(28-17-7-5-15-26(28)34)32-19-10-18-29-31-22-21-30-24-13-8-9-20-33(24)39-37(30)38(31)40-36(29)32/h1-6,8-16,18-22H,7,17H2.
What are the key properties of 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?
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 has a molecular weight of 512.61 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174288134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).