5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene]

C77H52N4O4 — CID 58855012

IUPAC5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene]
SMILESCOc1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cc3c(cc2C42c4cc5c6ccccc6n(-c6ccc(OC)cc6)c5cc4-c4cc5c(cc42)c2ccccc2n5-c2ccc(OC)cc2)c2ccccc2n3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C77H52N4O4/c1-82-49-29-21-45(22-30-49)78-69-17-9-5-13-53(69)61-37-65-57(41-73(61)78)58-42-74-62(54-14-6-10-18-70(54)79(74)46-23-31-50(83-2)32-24-46)38-66(58)77(65)67-39-63-55-15-7-11-19-71(55)80(47-25-33-51(84-3)34-26-47)75(63)43-59(67)60-44-76-64(40-68(60)77)56-16-8-12-20-72(56)81(76)48-27-35-52(85-4)36-28-48/h5-44H,1-4H3
InChIKeyYKINCXPMQKDZLC-UHFFFAOYSA-N
MW1097.29 g/mol
LogP18.45
Rot. Bonds8

About 5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene]

5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene] (PubChem CID 58855012) has the molecular formula C77H52N4O4 and a molecular weight of 1097.29 g/mol. Its IUPAC name is 5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene].

Molecular Properties

Compound Name5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene]
PubChem CID58855012
Molecular FormulaC77H52N4O4
Molecular Weight1097.29 g/mol
Exact Mass1096.40
IUPAC Name5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene]
SMILESCOc1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cc3c(cc2C42c4cc5c6ccccc6n(-c6ccc(OC)cc6)c5cc4-c4cc5c(cc42)c2ccccc2n5-c2ccc(OC)cc2)c2ccccc2n3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C77H52N4O4/c1-82-49-29-21-45(22-30-49)78-69-17-9-5-13-53(69)61-37-65-57(41-73(61)78)58-42-74-62(54-14-6-10-18-70(54)79(74)46-23-31-50(83-2)32-24-46)38-66(58)77(65)67-39-63-55-15-7-11-19-71(55)80(47-25-33-51(84-3)34-26-47)75(63)43-59(67)60-44-76-64(40-68(60)77)56-16-8-12-20-72(56)81(76)48-27-35-52(85-4)36-28-48/h5-44H,1-4H3
InChIKeyYKINCXPMQKDZLC-UHFFFAOYSA-N
XLogP18.45
TPSA56.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.29
LogP ≤ 518.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene]?
The IUPAC name of 5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene] (CID 58855012) is 5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene].
What is the SMILES notation for 5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene]?
The canonical SMILES for 5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene] is COc1ccc(-n2c3ccccc3c3cc4c(cc32)-c2cc3c(cc2C42c4cc5c6ccccc6n(-c6ccc(OC)cc6)c5cc4-c4cc5c(cc42)c2ccccc2n5-c2ccc(OC)cc2)c2ccccc2n3-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene]?
The InChIKey is YKINCXPMQKDZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H52N4O4/c1-82-49-29-21-45(22-30-49)78-69-17-9-5-13-53(69)61-37-65-57(41-73(61)78)58-42-74-62(54-14-6-10-18-70(54)79(74)46-23-31-50(83-2)32-24-46)38-66(58)77(65)67-39-63-55-15-7-11-19-71(55)80(47-25-33-51(84-3)34-26-47)75(63)43-59(67)60-44-76-64(40-68(60)77)56-16-8-12-20-72(56)81(76)48-27-35-52(85-4)36-28-48/h5-44H,1-4H3.
What are the key properties of 5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene]?
5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene] has a molecular weight of 1097.29 g/mol, XLogP of 18.45, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5',25,25'-tetrakis(4-methoxyphenyl)-15,15'-spirobi[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene] is sourced from PubChem (CID 58855012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).