11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol

C62H46N2O4 — CID 134864371

IUPAC11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
SMILESOc1c2cc(-c3ccccc3-c3ccccc3)cc1Cc1cccc(c1Oc1ccccn1)Cc1cc(-c3ccccc3-c3ccccc3)cc(c1O)Cc1cccc(c1Oc1ccccn1)C2
InChIInChI=1S/C62H46N2O4/c65-59-49-33-43-21-15-23-45(61(43)67-57-29-11-13-31-63-57)35-51-39-48(56-28-10-8-26-54(56)42-19-5-2-6-20-42)40-52(60(51)66)36-46-24-16-22-44(62(46)68-58-30-12-14-32-64-58)34-50(59)38-47(37-49)55-27-9-7-25-53(55)41-17-3-1-4-18-41/h1-32,37-40,65-66H,33-36H2
InChIKeyKXRRRHJYHNODHP-UHFFFAOYSA-N
MW883.06 g/mol
LogP14.82
Rot. Bonds8

About 11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol

11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol (PubChem CID 134864371) has the molecular formula C62H46N2O4 and a molecular weight of 883.06 g/mol. Its IUPAC name is 11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol.

Molecular Properties

Compound Name11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
PubChem CID134864371
Molecular FormulaC62H46N2O4
Molecular Weight883.06 g/mol
Exact Mass882.35
IUPAC Name11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
SMILESOc1c2cc(-c3ccccc3-c3ccccc3)cc1Cc1cccc(c1Oc1ccccn1)Cc1cc(-c3ccccc3-c3ccccc3)cc(c1O)Cc1cccc(c1Oc1ccccn1)C2
InChIInChI=1S/C62H46N2O4/c65-59-49-33-43-21-15-23-45(61(43)67-57-29-11-13-31-63-57)35-51-39-48(56-28-10-8-26-54(56)42-19-5-2-6-20-42)40-52(60(51)66)36-46-24-16-22-44(62(46)68-58-30-12-14-32-64-58)34-50(59)38-47(37-49)55-27-9-7-25-53(55)41-17-3-1-4-18-41/h1-32,37-40,65-66H,33-36H2
InChIKeyKXRRRHJYHNODHP-UHFFFAOYSA-N
XLogP14.82
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.06
LogP ≤ 514.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?
The IUPAC name of 11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol (CID 134864371) is 11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol.
What is the SMILES notation for 11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?
The canonical SMILES for 11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol is Oc1c2cc(-c3ccccc3-c3ccccc3)cc1Cc1cccc(c1Oc1ccccn1)Cc1cc(-c3ccccc3-c3ccccc3)cc(c1O)Cc1cccc(c1Oc1ccccn1)C2.
What is the InChIKey of 11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?
The InChIKey is KXRRRHJYHNODHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2O4/c65-59-49-33-43-21-15-23-45(61(43)67-57-29-11-13-31-63-57)35-51-39-48(56-28-10-8-26-54(56)42-19-5-2-6-20-42)40-52(60(51)66)36-46-24-16-22-44(62(46)68-58-30-12-14-32-64-58)34-50(59)38-47(37-49)55-27-9-7-25-53(55)41-17-3-1-4-18-41/h1-32,37-40,65-66H,33-36H2.
What are the key properties of 11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol?
11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol has a molecular weight of 883.06 g/mol, XLogP of 14.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,23-bis(2-phenylphenyl)-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol is sourced from PubChem (CID 134864371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).