2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine

C48H31NO2 — CID 138574268

IUPAC2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)Oc2ccc(-c3ccccc3-c3ccc(-c5ccccn5)cc3)cc2O4)cc1
InChIInChI=1S/C48H31NO2/c1-3-13-35(14-4-1)48(36-15-5-2-6-16-36)41-20-10-9-19-39(41)40-30-46-47(31-42(40)48)50-44-27-26-34(29-45(44)51-46)38-18-8-7-17-37(38)32-22-24-33(25-23-32)43-21-11-12-28-49-43/h1-31H
InChIKeyRWHSNTCDYJHHRD-UHFFFAOYSA-N
MW653.78 g/mol
LogP12.34
Rot. Bonds5

About 2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine

2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine (PubChem CID 138574268) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is 2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine
PubChem CID138574268
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC Name2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)Oc2ccc(-c3ccccc3-c3ccc(-c5ccccn5)cc3)cc2O4)cc1
InChIInChI=1S/C48H31NO2/c1-3-13-35(14-4-1)48(36-15-5-2-6-16-36)41-20-10-9-19-39(41)40-30-46-47(31-42(40)48)50-44-27-26-34(29-45(44)51-46)38-18-8-7-17-37(38)32-22-24-33(25-23-32)43-21-11-12-28-49-43/h1-31H
InChIKeyRWHSNTCDYJHHRD-UHFFFAOYSA-N
XLogP12.34
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.78
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine with MolForge

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Related Compounds

3-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]pyridine
CID 138574269
2-[4-(9,9-diphenyl-2-pyridin-2-ylfluoren-3-yl)phenyl]pyridine
CID 142453488
2-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]pyridine
CID 138574011
2-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine
CID 138573747
4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)-2,6-dipyridin-2-ylpyridine
CID 138573850
2-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138573974
2-[2-(10',10'-diphenylspiro[fluorene-9,5'-indeno[2,1-a]indene]-2'-yl)-5-pyridin-2-ylphenyl]pyridine
CID 129264556
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138576044
4-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]benzonitrile
CID 138573993
4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-2-phenylquinazoline
CID 138573827
10,10-diphenyl-14-(4-pyridin-2-ylphenyl)-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129124209
2-[9,9-diphenyl-2-(4-pyridin-2-ylphenyl)fluoren-3-yl]benzonitrile
CID 142453663

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine?
The IUPAC name of 2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine (CID 138574268) is 2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)Oc2ccc(-c3ccccc3-c3ccc(-c5ccccn5)cc3)cc2O4)cc1.
What is the InChIKey of 2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine?
The InChIKey is RWHSNTCDYJHHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-3-13-35(14-4-1)48(36-15-5-2-6-16-36)41-20-10-9-19-39(41)40-30-46-47(31-42(40)48)50-44-27-26-34(29-45(44)51-46)38-18-8-7-17-37(38)32-22-24-33(25-23-32)43-21-11-12-28-49-43/h1-31H.
What are the key properties of 2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine?
2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine has a molecular weight of 653.78 g/mol, XLogP of 12.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 138574268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).