3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole

C43H39NO2 — CID 98127628

IUPAC3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole
SMILESCCOC(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1cc(C(OCC)(c3ccccc3)c3ccccc3)ccc1n2C
InChIInChI=1S/C43H39NO2/c1-4-45-42(32-18-10-6-11-19-32,33-20-12-7-13-21-33)36-26-28-40-38(30-36)39-31-37(27-29-41(39)44(40)3)43(46-5-2,34-22-14-8-15-23-34)35-24-16-9-17-25-35/h6-31H,4-5H2,1-3H3
InChIKeyAICBUZCWDPOMGM-UHFFFAOYSA-N
MW601.79 g/mol
LogP9.99
Rot. Bonds10

About 3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole

3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole (PubChem CID 98127628) has the molecular formula C43H39NO2 and a molecular weight of 601.79 g/mol. Its IUPAC name is 3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole.

Molecular Properties

Compound Name3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole
PubChem CID98127628
Molecular FormulaC43H39NO2
Molecular Weight601.79 g/mol
Exact Mass601.30
IUPAC Name3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole
SMILESCCOC(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1cc(C(OCC)(c3ccccc3)c3ccccc3)ccc1n2C
InChIInChI=1S/C43H39NO2/c1-4-45-42(32-18-10-6-11-19-32,33-20-12-7-13-21-33)36-26-28-40-38(30-36)39-31-37(27-29-41(39)44(40)3)43(46-5-2,34-22-14-8-15-23-34)35-24-16-9-17-25-35/h6-31H,4-5H2,1-3H3
InChIKeyAICBUZCWDPOMGM-UHFFFAOYSA-N
XLogP9.99
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.79
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole?
The IUPAC name of 3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole (CID 98127628) is 3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole.
What is the SMILES notation for 3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole?
The canonical SMILES for 3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole is CCOC(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1cc(C(OCC)(c3ccccc3)c3ccccc3)ccc1n2C.
What is the InChIKey of 3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole?
The InChIKey is AICBUZCWDPOMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39NO2/c1-4-45-42(32-18-10-6-11-19-32,33-20-12-7-13-21-33)36-26-28-40-38(30-36)39-31-37(27-29-41(39)44(40)3)43(46-5-2,34-22-14-8-15-23-34)35-24-16-9-17-25-35/h6-31H,4-5H2,1-3H3.
What are the key properties of 3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole?
3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole has a molecular weight of 601.79 g/mol, XLogP of 9.99, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[ethoxy(diphenyl)methyl]-9-methylcarbazole is sourced from PubChem (CID 98127628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).