9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole

C66H60N6O — CID 138629069

IUPAC9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole
SMILESCC(C)c1cccc(C(C)C)c1-c1cnn(-c2cc(Oc3cc(-n4cc(-c5c(C(C)C)cccc5C(C)C)cn4)cc(-n4c5ccccc5c5ccccc54)c3)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C66H60N6O/c1-41(2)53-23-17-24-54(42(3)4)65(53)45-37-67-69(39-45)47-31-49(71-61-27-13-9-19-57(61)58-20-10-14-28-62(58)71)35-51(33-47)73-52-34-48(70-40-46(38-68-70)66-55(43(5)6)25-18-26-56(66)44(7)8)32-50(36-52)72-63-29-15-11-21-59(63)60-22-12-16-30-64(60)72/h9-44H,1-8H3
InChIKeyYQDONTAMSVGMQX-UHFFFAOYSA-N
MW953.25 g/mol
LogP17.87
Rot. Bonds12

About 9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole

9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole (PubChem CID 138629069) has the molecular formula C66H60N6O and a molecular weight of 953.25 g/mol. Its IUPAC name is 9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole
PubChem CID138629069
Molecular FormulaC66H60N6O
Molecular Weight953.25 g/mol
Exact Mass952.48
IUPAC Name9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole
SMILESCC(C)c1cccc(C(C)C)c1-c1cnn(-c2cc(Oc3cc(-n4cc(-c5c(C(C)C)cccc5C(C)C)cn4)cc(-n4c5ccccc5c5ccccc54)c3)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C66H60N6O/c1-41(2)53-23-17-24-54(42(3)4)65(53)45-37-67-69(39-45)47-31-49(71-61-27-13-9-19-57(61)58-20-10-14-28-62(58)71)35-51(33-47)73-52-34-48(70-40-46(38-68-70)66-55(43(5)6)25-18-26-56(66)44(7)8)32-50(36-52)72-63-29-15-11-21-59(63)60-22-12-16-30-64(60)72/h9-44H,1-8H3
InChIKeyYQDONTAMSVGMQX-UHFFFAOYSA-N
XLogP17.87
TPSA54.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.25
LogP ≤ 517.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole (CID 138629069) is 9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole is CC(C)c1cccc(C(C)C)c1-c1cnn(-c2cc(Oc3cc(-n4cc(-c5c(C(C)C)cccc5C(C)C)cn4)cc(-n4c5ccccc5c5ccccc54)c3)cc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole?
The InChIKey is YQDONTAMSVGMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H60N6O/c1-41(2)53-23-17-24-54(42(3)4)65(53)45-37-67-69(39-45)47-31-49(71-61-27-13-9-19-57(61)58-20-10-14-28-62(58)71)35-51(33-47)73-52-34-48(70-40-46(38-68-70)66-55(43(5)6)25-18-26-56(66)44(7)8)32-50(36-52)72-63-29-15-11-21-59(63)60-22-12-16-30-64(60)72/h9-44H,1-8H3.
What are the key properties of 9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole?
9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole has a molecular weight of 953.25 g/mol, XLogP of 17.87, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-carbazol-9-yl-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenoxy]-5-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]phenyl]carbazole is sourced from PubChem (CID 138629069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).