9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole

C62H42N4O — CID 71232705

IUPAC9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole
SMILESCn1c2ccccc2c2cc(-c3cccc(-n4c5ccccc5c5c(Oc6cccc7c6c6ccccc6n7-c6cccc(-c7ccc8c(c7)c7ccccc7n8C)c6)cccc54)c3)ccc21
InChIInChI=1S/C62H42N4O/c1-63-51-23-7-3-19-45(51)49-37-41(31-33-53(49)63)39-15-11-17-43(35-39)65-55-25-9-5-21-47(55)61-57(65)27-13-29-59(61)67-60-30-14-28-58-62(60)48-22-6-10-26-56(48)66(58)44-18-12-16-40(36-44)42-32-34-54-50(38-42)46-20-4-8-24-52(46)64(54)2/h3-38H,1-2H3
InChIKeyMYZXFPLLZBPFBH-UHFFFAOYSA-N
MW859.05 g/mol
LogP16.30
Rot. Bonds6

About 9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole

9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole (PubChem CID 71232705) has the molecular formula C62H42N4O and a molecular weight of 859.05 g/mol. Its IUPAC name is 9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole
PubChem CID71232705
Molecular FormulaC62H42N4O
Molecular Weight859.05 g/mol
Exact Mass858.34
IUPAC Name9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole
SMILESCn1c2ccccc2c2cc(-c3cccc(-n4c5ccccc5c5c(Oc6cccc7c6c6ccccc6n7-c6cccc(-c7ccc8c(c7)c7ccccc7n8C)c6)cccc54)c3)ccc21
InChIInChI=1S/C62H42N4O/c1-63-51-23-7-3-19-45(51)49-37-41(31-33-53(49)63)39-15-11-17-43(35-39)65-55-25-9-5-21-47(55)61-57(65)27-13-29-59(61)67-60-30-14-28-58-62(60)48-22-6-10-26-56(48)66(58)44-18-12-16-40(36-44)42-32-34-54-50(38-42)46-20-4-8-24-52(46)64(54)2/h3-38H,1-2H3
InChIKeyMYZXFPLLZBPFBH-UHFFFAOYSA-N
XLogP16.30
TPSA28.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.05
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole?
The IUPAC name of 9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole (CID 71232705) is 9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole?
The canonical SMILES for 9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole is Cn1c2ccccc2c2cc(-c3cccc(-n4c5ccccc5c5c(Oc6cccc7c6c6ccccc6n7-c6cccc(-c7ccc8c(c7)c7ccccc7n8C)c6)cccc54)c3)ccc21.
What is the InChIKey of 9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole?
The InChIKey is MYZXFPLLZBPFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4O/c1-63-51-23-7-3-19-45(51)49-37-41(31-33-53(49)63)39-15-11-17-43(35-39)65-55-25-9-5-21-47(55)61-57(65)27-13-29-59(61)67-60-30-14-28-58-62(60)48-22-6-10-26-56(48)66(58)44-18-12-16-40(36-44)42-32-34-54-50(38-42)46-20-4-8-24-52(46)64(54)2/h3-38H,1-2H3.
What are the key properties of 9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole?
9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole has a molecular weight of 859.05 g/mol, XLogP of 16.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[3-[4-[9-[3-(9-methylcarbazol-3-yl)phenyl]carbazol-4-yl]oxycarbazol-9-yl]phenyl]carbazole is sourced from PubChem (CID 71232705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).