4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine

C41H25NO2 — CID 138651380

IUPAC4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)oc4ccc6oc7ccccc7c6c45)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H25NO2/c1-3-9-28(10-4-1)34-23-31(24-35(42-34)29-11-5-2-6-12-29)27-17-15-26(16-18-27)30-19-20-33-39(25-30)44-38-22-21-37-40(41(33)38)32-13-7-8-14-36(32)43-37/h1-25H
InChIKeyZGKHMEUWXREWSY-UHFFFAOYSA-N
MW563.66 g/mol
LogP11.55
Rot. Bonds4

About 4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine

4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine (PubChem CID 138651380) has the molecular formula C41H25NO2 and a molecular weight of 563.66 g/mol. Its IUPAC name is 4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine
PubChem CID138651380
Molecular FormulaC41H25NO2
Molecular Weight563.66 g/mol
Exact Mass563.19
IUPAC Name4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)oc4ccc6oc7ccccc7c6c45)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H25NO2/c1-3-9-28(10-4-1)34-23-31(24-35(42-34)29-11-5-2-6-12-29)27-17-15-26(16-18-27)30-19-20-33-39(25-30)44-38-22-21-37-40(41(33)38)32-13-7-8-14-36(32)43-37/h1-25H
InChIKeyZGKHMEUWXREWSY-UHFFFAOYSA-N
XLogP11.55
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine with MolForge

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Related Compounds

4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-2,6-diphenylpyrimidine
CID 138651146
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 171583122
2,4-diphenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]pyridine
CID 134198825
4-dibenzofuran-3-yl-6-[4-(3,5-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 138659621
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,4-diphenylaniline
CID 138651647
9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole
CID 163750210
4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine
CID 162775240
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine
CID 139304383
4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 159186789
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613600
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine (CID 138651380) is 4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)oc4ccc6oc7ccccc7c6c45)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine?
The InChIKey is ZGKHMEUWXREWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25NO2/c1-3-9-28(10-4-1)34-23-31(24-35(42-34)29-11-5-2-6-12-29)27-17-15-26(16-18-27)30-19-20-33-39(25-30)44-38-22-21-37-40(41(33)38)32-13-7-8-14-36(32)43-37/h1-25H.
What are the key properties of 4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine?
4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine has a molecular weight of 563.66 g/mol, XLogP of 11.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 138651380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).