20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene

C50H30O — CID 121450085

IUPAC20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
SMILESc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4c5c(cccc5c3c2)Oc2cc(-c3cc5ccccc5c5ccccc35)ccc2-4)cc1
InChIInChI=1S/C50H30O/c1-2-11-31(12-3-1)34-23-25-42-45(28-34)41-19-10-20-46-49(41)50(48(42)37-22-21-32-13-4-5-14-33(32)27-37)43-26-24-36(30-47(43)51-46)44-29-35-15-6-7-16-38(35)39-17-8-9-18-40(39)44/h1-30H
InChIKeyFWVQYMSYUIDXDV-UHFFFAOYSA-N
MW646.79 g/mol
LogP14.23
Rot. Bonds3

About 20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene

20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene (PubChem CID 121450085) has the molecular formula C50H30O and a molecular weight of 646.79 g/mol. Its IUPAC name is 20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Name20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
PubChem CID121450085
Molecular FormulaC50H30O
Molecular Weight646.79 g/mol
Exact Mass646.23
IUPAC Name20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
SMILESc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4c5c(cccc5c3c2)Oc2cc(-c3cc5ccccc5c5ccccc35)ccc2-4)cc1
InChIInChI=1S/C50H30O/c1-2-11-31(12-3-1)34-23-25-42-45(28-34)41-19-10-20-46-49(41)50(48(42)37-22-21-32-13-4-5-14-33(32)27-37)43-26-24-36(30-47(43)51-46)44-29-35-15-6-7-16-38(35)39-17-8-9-18-40(39)44/h1-30H
InChIKeyFWVQYMSYUIDXDV-UHFFFAOYSA-N
XLogP14.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
CID 121450102
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
9-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)phenanthrene;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]phenanthrene;9-[3-(7-phenanthren-9-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene
CID 159137471
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene
CID 58323397
10-naphthalen-2-yl-21-(3-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629405
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322853
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-diphenylphenanthrene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenylphenanthrene;3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9,10-diphenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene;3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene
CID 161199830
8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337
7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
CID 59390470

Frequently Asked Questions

What is the IUPAC name of 20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?
The IUPAC name of 20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene (CID 121450085) is 20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene.
What is the SMILES notation for 20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?
The canonical SMILES for 20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene is c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4c5c(cccc5c3c2)Oc2cc(-c3cc5ccccc5c5ccccc35)ccc2-4)cc1.
What is the InChIKey of 20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?
The InChIKey is FWVQYMSYUIDXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O/c1-2-11-31(12-3-1)34-23-25-42-45(28-34)41-19-10-20-46-49(41)50(48(42)37-22-21-32-13-4-5-14-33(32)27-37)43-26-24-36(30-47(43)51-46)44-29-35-15-6-7-16-38(35)39-17-8-9-18-40(39)44/h1-30H.
What are the key properties of 20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?
20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene has a molecular weight of 646.79 g/mol, XLogP of 14.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 20-naphthalen-2-yl-5-phenanthren-9-yl-16-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene is sourced from PubChem (CID 121450085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).