3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole

C67H53N3O — CID 89393750

IUPAC3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(Oc4ccc5c(c4)c4cc(-c6c(C)cc(C)cc6C)ccc4n5-c4cccc(-c5ccc6c7ccccc7n(C)c6c5)c4)ccc2n3-c2ccccc2)c(C)c1
InChIInChI=1S/C67H53N3O/c1-40-30-42(3)66(43(4)31-40)48-21-26-61-56(35-48)58-38-52(23-28-63(58)69(61)50-15-9-8-10-16-50)71-53-24-29-64-59(39-53)57-36-49(67-44(5)32-41(2)33-45(67)6)22-27-62(57)70(64)51-17-13-14-46(34-51)47-20-25-55-54-18-11-12-19-60(54)68(7)65(55)37-47/h8-39H,1-7H3
InChIKeySXQLSLGBRJOIQX-UHFFFAOYSA-N
MW916.18 g/mol
LogP18.17
Rot. Bonds7

About 3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole

3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole (PubChem CID 89393750) has the molecular formula C67H53N3O and a molecular weight of 916.18 g/mol. Its IUPAC name is 3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
PubChem CID89393750
Molecular FormulaC67H53N3O
Molecular Weight916.18 g/mol
Exact Mass915.42
IUPAC Name3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(Oc4ccc5c(c4)c4cc(-c6c(C)cc(C)cc6C)ccc4n5-c4cccc(-c5ccc6c7ccccc7n(C)c6c5)c4)ccc2n3-c2ccccc2)c(C)c1
InChIInChI=1S/C67H53N3O/c1-40-30-42(3)66(43(4)31-40)48-21-26-61-56(35-48)58-38-52(23-28-63(58)69(61)50-15-9-8-10-16-50)71-53-24-29-64-59(39-53)57-36-49(67-44(5)32-41(2)33-45(67)6)22-27-62(57)70(64)51-17-13-14-46(34-51)47-20-25-55-54-18-11-12-19-60(54)68(7)65(55)37-47/h8-39H,1-7H3
InChIKeySXQLSLGBRJOIQX-UHFFFAOYSA-N
XLogP18.17
TPSA24.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.18
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole (CID 89393750) is 3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2cc(Oc4ccc5c(c4)c4cc(-c6c(C)cc(C)cc6C)ccc4n5-c4cccc(-c5ccc6c7ccccc7n(C)c6c5)c4)ccc2n3-c2ccccc2)c(C)c1.
What is the InChIKey of 3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?
The InChIKey is SXQLSLGBRJOIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H53N3O/c1-40-30-42(3)66(43(4)31-40)48-21-26-61-56(35-48)58-38-52(23-28-63(58)69(61)50-15-9-8-10-16-50)71-53-24-29-64-59(39-53)57-36-49(67-44(5)32-41(2)33-45(67)6)22-27-62(57)70(64)51-17-13-14-46(34-51)47-20-25-55-54-18-11-12-19-60(54)68(7)65(55)37-47/h8-39H,1-7H3.
What are the key properties of 3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole?
3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 916.18 g/mol, XLogP of 18.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 89393750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).