9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole

C53H40N4 — CID 71232688

IUPAC9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole
SMILESCn1c2ccccc2c2cc(-n3c4ccccc4c4cc(C(C)(C)c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5ccccc5n6C)ccc43)ccc21
InChIInChI=1S/C53H40N4/c1-53(2,33-21-25-51-41(29-33)39-15-7-11-19-49(39)56(51)35-23-27-47-43(31-35)37-13-5-9-17-45(37)54(47)3)34-22-26-52-42(30-34)40-16-8-12-20-50(40)57(52)36-24-28-48-44(32-36)38-14-6-10-18-46(38)55(48)4/h5-32H,1-4H3
InChIKeyQSBGZDXEFQNIBR-UHFFFAOYSA-N
MW732.93 g/mol
LogP13.50
Rot. Bonds4

About 9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole

9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole (PubChem CID 71232688) has the molecular formula C53H40N4 and a molecular weight of 732.93 g/mol. Its IUPAC name is 9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole
PubChem CID71232688
Molecular FormulaC53H40N4
Molecular Weight732.93 g/mol
Exact Mass732.33
IUPAC Name9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole
SMILESCn1c2ccccc2c2cc(-n3c4ccccc4c4cc(C(C)(C)c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5ccccc5n6C)ccc43)ccc21
InChIInChI=1S/C53H40N4/c1-53(2,33-21-25-51-41(29-33)39-15-7-11-19-49(39)56(51)35-23-27-47-43(31-35)37-13-5-9-17-45(37)54(47)3)34-22-26-52-42(30-34)40-16-8-12-20-50(40)57(52)36-24-28-48-44(32-36)38-14-6-10-18-46(38)55(48)4/h5-32H,1-4H3
InChIKeyQSBGZDXEFQNIBR-UHFFFAOYSA-N
XLogP13.50
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole
CID 71232754
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650
3-(9-phenylcarbazol-3-yl)-9-[4-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazole
CID 176617175
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
3-carbazol-9-yl-6-phenyl-9-[3-(2-phenylpropan-2-yl)phenyl]carbazole
CID 162480023
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3,6-ditert-butyl-9-[9-[4-[4-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]carbazole
CID 118033417

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole?
The IUPAC name of 9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole (CID 71232688) is 9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole.
What is the SMILES notation for 9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole?
The canonical SMILES for 9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole is Cn1c2ccccc2c2cc(-n3c4ccccc4c4cc(C(C)(C)c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5ccccc5n6C)ccc43)ccc21.
What is the InChIKey of 9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole?
The InChIKey is QSBGZDXEFQNIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N4/c1-53(2,33-21-25-51-41(29-33)39-15-7-11-19-49(39)56(51)35-23-27-47-43(31-35)37-13-5-9-17-45(37)54(47)3)34-22-26-52-42(30-34)40-16-8-12-20-50(40)57(52)36-24-28-48-44(32-36)38-14-6-10-18-46(38)55(48)4/h5-32H,1-4H3.
What are the key properties of 9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole?
9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole has a molecular weight of 732.93 g/mol, XLogP of 13.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole is sourced from PubChem (CID 71232688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).