9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol

C69H52N6O9 — CID 122432865

IUPAC9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2nnc(-c3ccc(-n4c5ccc(OC)cc5c5cc(OC)ccc54)cc3-n3c4ccc(OC)cc4c4cc(OC)ccc43)o2)c(-n2c3ccc(O)cc3c3cc(OC)ccc32)c1
InChIInChI=1S/C69H52N6O9/c1-77-41-11-21-58-52(32-41)53-33-42(78-2)12-22-59(53)72(58)38-8-18-48(66(28-38)74-62-20-10-40(76)30-50(62)51-31-45(81-5)15-25-63(51)74)68-70-71-69(84-68)49-19-9-39(73-60-23-13-43(79-3)34-54(60)55-35-44(80-4)14-24-61(55)73)29-67(49)75-64-26-16-46(82-6)36-56(64)57-37-47(83-7)17-27-65(57)75/h8-37,76H,1-7H3
InChIKeyLMSWYYWFJMUZOL-UHFFFAOYSA-N
MW1109.21 g/mol
LogP15.56
Rot. Bonds13

About 9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol

9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol (PubChem CID 122432865) has the molecular formula C69H52N6O9 and a molecular weight of 1109.21 g/mol. Its IUPAC name is 9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol.

Molecular Properties

Compound Name9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol
PubChem CID122432865
Molecular FormulaC69H52N6O9
Molecular Weight1109.21 g/mol
Exact Mass1108.38
IUPAC Name9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2nnc(-c3ccc(-n4c5ccc(OC)cc5c5cc(OC)ccc54)cc3-n3c4ccc(OC)cc4c4cc(OC)ccc43)o2)c(-n2c3ccc(O)cc3c3cc(OC)ccc32)c1
InChIInChI=1S/C69H52N6O9/c1-77-41-11-21-58-52(32-41)53-33-42(78-2)12-22-59(53)72(58)38-8-18-48(66(28-38)74-62-20-10-40(76)30-50(62)51-31-45(81-5)15-25-63(51)74)68-70-71-69(84-68)49-19-9-39(73-60-23-13-43(79-3)34-54(60)55-35-44(80-4)14-24-61(55)73)29-67(49)75-64-26-16-46(82-6)36-56(64)57-37-47(83-7)17-27-65(57)75/h8-37,76H,1-7H3
InChIKeyLMSWYYWFJMUZOL-UHFFFAOYSA-N
XLogP15.56
TPSA143.48 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001109.21
LogP ≤ 515.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol?
The IUPAC name of 9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol (CID 122432865) is 9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol.
What is the SMILES notation for 9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol?
The canonical SMILES for 9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2nnc(-c3ccc(-n4c5ccc(OC)cc5c5cc(OC)ccc54)cc3-n3c4ccc(OC)cc4c4cc(OC)ccc43)o2)c(-n2c3ccc(O)cc3c3cc(OC)ccc32)c1.
What is the InChIKey of 9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol?
The InChIKey is LMSWYYWFJMUZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H52N6O9/c1-77-41-11-21-58-52(32-41)53-33-42(78-2)12-22-59(53)72(58)38-8-18-48(66(28-38)74-62-20-10-40(76)30-50(62)51-31-45(81-5)15-25-63(51)74)68-70-71-69(84-68)49-19-9-39(73-60-23-13-43(79-3)34-54(60)55-35-44(80-4)14-24-61(55)73)29-67(49)75-64-26-16-46(82-6)36-56(64)57-37-47(83-7)17-27-65(57)75/h8-37,76H,1-7H3.
What are the key properties of 9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol?
9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol has a molecular weight of 1109.21 g/mol, XLogP of 15.56, 13 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[5-[2,4-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(3,6-dimethoxycarbazol-9-yl)phenyl]-6-methoxycarbazol-3-ol is sourced from PubChem (CID 122432865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).