2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole

C29H22N2O — CID 170561182

IUPAC2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole
SMILESCCOc1ncc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc12
InChIInChI=1S/C29H22N2O/c1-2-32-29-25-14-7-6-12-22(25)26(19-30-29)20-16-17-24-23-13-8-9-15-27(23)31(28(24)18-20)21-10-4-3-5-11-21/h3-19H,2H2,1H3
InChIKeyRMPNTEZDXHMKOY-UHFFFAOYSA-N
MW414.51 g/mol
LogP7.40
Rot. Bonds4

About 2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole

2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole (PubChem CID 170561182) has the molecular formula C29H22N2O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole
PubChem CID170561182
Molecular FormulaC29H22N2O
Molecular Weight414.51 g/mol
Exact Mass414.17
IUPAC Name2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole
SMILESCCOc1ncc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc12
InChIInChI=1S/C29H22N2O/c1-2-32-29-25-14-7-6-12-22(25)26(19-30-29)20-16-17-24-23-13-8-9-15-27(23)31(28(24)18-20)21-10-4-3-5-11-21/h3-19H,2H2,1H3
InChIKeyRMPNTEZDXHMKOY-UHFFFAOYSA-N
XLogP7.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 90321601
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
2-[2-(2-chlorophenyl)phenyl]-9-phenylcarbazole
CID 176719061
4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325890
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
10-phenyl-20-(9-phenylcarbazol-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310187
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[4,3-b]indole
CID 118587991
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole?
The IUPAC name of 2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole (CID 170561182) is 2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole?
The canonical SMILES for 2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole is CCOc1ncc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc12.
What is the InChIKey of 2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole?
The InChIKey is RMPNTEZDXHMKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O/c1-2-32-29-25-14-7-6-12-22(25)26(19-30-29)20-16-17-24-23-13-8-9-15-27(23)31(28(24)18-20)21-10-4-3-5-11-21/h3-19H,2H2,1H3.
What are the key properties of 2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole?
2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole has a molecular weight of 414.51 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyisoquinolin-4-yl)-9-phenylcarbazole is sourced from PubChem (CID 170561182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).