3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole

C43H35Cl2N3 — CID 67279204

IUPAC3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(C(c3ccc4c(c3)c3cc(Cl)ccc3n4CC)c3ccc4c(c3)c3cc(Cl)ccc3n4CC)ccc21
InChIInChI=1S/C43H35Cl2N3/c1-4-46-37-10-8-7-9-31(37)32-21-26(11-16-38(32)46)43(27-12-17-39-33(22-27)35-24-29(44)14-19-41(35)47(39)5-2)28-13-18-40-34(23-28)36-25-30(45)15-20-42(36)48(40)6-3/h7-25,43H,4-6H2,1-3H3
InChIKeyRNMRATHWIQSNKN-UHFFFAOYSA-N
MW664.68 g/mol
LogP12.56
Rot. Bonds6

About 3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole

3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole (PubChem CID 67279204) has the molecular formula C43H35Cl2N3 and a molecular weight of 664.68 g/mol. Its IUPAC name is 3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole.

Molecular Properties

Compound Name3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole
PubChem CID67279204
Molecular FormulaC43H35Cl2N3
Molecular Weight664.68 g/mol
Exact Mass663.22
IUPAC Name3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(C(c3ccc4c(c3)c3cc(Cl)ccc3n4CC)c3ccc4c(c3)c3cc(Cl)ccc3n4CC)ccc21
InChIInChI=1S/C43H35Cl2N3/c1-4-46-37-10-8-7-9-31(37)32-21-26(11-16-38(32)46)43(27-12-17-39-33(22-27)35-24-29(44)14-19-41(35)47(39)5-2)28-13-18-40-34(23-28)36-25-30(45)15-20-42(36)48(40)6-3/h7-25,43H,4-6H2,1-3H3
InChIKeyRNMRATHWIQSNKN-UHFFFAOYSA-N
XLogP12.56
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.68
LogP ≤ 512.56
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-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole?
The IUPAC name of 3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole (CID 67279204) is 3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole.
What is the SMILES notation for 3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole?
The canonical SMILES for 3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole is CCn1c2ccccc2c2cc(C(c3ccc4c(c3)c3cc(Cl)ccc3n4CC)c3ccc4c(c3)c3cc(Cl)ccc3n4CC)ccc21.
What is the InChIKey of 3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole?
The InChIKey is RNMRATHWIQSNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35Cl2N3/c1-4-46-37-10-8-7-9-31(37)32-21-26(11-16-38(32)46)43(27-12-17-39-33(22-27)35-24-29(44)14-19-41(35)47(39)5-2)28-13-18-40-34(23-28)36-25-30(45)15-20-42(36)48(40)6-3/h7-25,43H,4-6H2,1-3H3.
What are the key properties of 3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole?
3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole has a molecular weight of 664.68 g/mol, XLogP of 12.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(6-chloro-9-ethylcarbazol-3-yl)-(9-ethylcarbazol-3-yl)methyl]-9-ethylcarbazole is sourced from PubChem (CID 67279204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).