10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene

C41H28O — CID 135208654

IUPAC10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene
SMILESCc1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4c5c(oc34)CCc3ccccc3-5)c3ccccc23)cc1
InChIInChI=1S/C41H28O/c1-25-18-20-27(21-19-25)37-31-14-6-8-16-33(31)38(34-17-9-7-15-32(34)37)35-24-28-11-3-5-13-30(28)40-39-29-12-4-2-10-26(29)22-23-36(39)42-41(35)40/h2-21,24H,22-23H2,1H3
InChIKeyAZESPJPEMHJTOJ-UHFFFAOYSA-N
MW536.67 g/mol
LogP11.30
Rot. Bonds2

About 10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene

10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene (PubChem CID 135208654) has the molecular formula C41H28O and a molecular weight of 536.67 g/mol. Its IUPAC name is 10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene.

Molecular Properties

Compound Name10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene
PubChem CID135208654
Molecular FormulaC41H28O
Molecular Weight536.67 g/mol
Exact Mass536.21
IUPAC Name10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene
SMILESCc1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4c5c(oc34)CCc3ccccc3-5)c3ccccc23)cc1
InChIInChI=1S/C41H28O/c1-25-18-20-27(21-19-25)37-31-14-6-8-16-33(31)38(34-17-9-7-15-32(34)37)35-24-28-11-3-5-13-30(28)40-39-29-12-4-2-10-26(29)22-23-36(39)42-41(35)40/h2-21,24H,22-23H2,1H3
InChIKeyAZESPJPEMHJTOJ-UHFFFAOYSA-N
XLogP11.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene with MolForge

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Related Compounds

2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
6-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88569932
9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
CID 144726294
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228
10-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 121325314
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 159916056
6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 91497188
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135

Frequently Asked Questions

What is the IUPAC name of 10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene?
The IUPAC name of 10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene (CID 135208654) is 10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene.
What is the SMILES notation for 10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene?
The canonical SMILES for 10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene is Cc1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4c5c(oc34)CCc3ccccc3-5)c3ccccc23)cc1.
What is the InChIKey of 10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene?
The InChIKey is AZESPJPEMHJTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28O/c1-25-18-20-27(21-19-25)37-31-14-6-8-16-33(31)38(34-17-9-7-15-32(34)37)35-24-28-11-3-5-13-30(28)40-39-29-12-4-2-10-26(29)22-23-36(39)42-41(35)40/h2-21,24H,22-23H2,1H3.
What are the key properties of 10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene?
10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene has a molecular weight of 536.67 g/mol, XLogP of 11.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(4-methylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,16,18,20-nonaene is sourced from PubChem (CID 135208654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).