9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole

C50H34ClN3 — CID 141317109

IUPAC9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole
SMILESClCCn1c2ccc(-c3cccc4c3C(c3ccccn3)c3ccccc3-4)cc2c2cc(-c3cccc4c3C(c3ccccn3)c3ccccc3-4)ccc21
InChIInChI=1S/C50H34ClN3/c51-25-28-54-45-23-21-31(33-15-9-17-37-35-11-1-3-13-39(35)49(47(33)37)43-19-5-7-26-52-43)29-41(45)42-30-32(22-24-46(42)54)34-16-10-18-38-36-12-2-4-14-40(36)50(48(34)38)44-20-6-8-27-53-44/h1-24,26-27,29-30,49-50H,25,28H2
InChIKeyFAKNEJNKSVUDJN-UHFFFAOYSA-N
MW712.30 g/mol
LogP12.48
Rot. Bonds6

About 9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole

9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole (PubChem CID 141317109) has the molecular formula C50H34ClN3 and a molecular weight of 712.30 g/mol. Its IUPAC name is 9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole.

Molecular Properties

Compound Name9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole
PubChem CID141317109
Molecular FormulaC50H34ClN3
Molecular Weight712.30 g/mol
Exact Mass711.24
IUPAC Name9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole
SMILESClCCn1c2ccc(-c3cccc4c3C(c3ccccn3)c3ccccc3-4)cc2c2cc(-c3cccc4c3C(c3ccccn3)c3ccccc3-4)ccc21
InChIInChI=1S/C50H34ClN3/c51-25-28-54-45-23-21-31(33-15-9-17-37-35-11-1-3-13-39(35)49(47(33)37)43-19-5-7-26-52-43)29-41(45)42-30-32(22-24-46(42)54)34-16-10-18-38-36-12-2-4-14-40(36)50(48(34)38)44-20-6-8-27-53-44/h1-24,26-27,29-30,49-50H,25,28H2
InChIKeyFAKNEJNKSVUDJN-UHFFFAOYSA-N
XLogP12.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.30
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole?
The IUPAC name of 9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole (CID 141317109) is 9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole.
What is the SMILES notation for 9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole?
The canonical SMILES for 9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole is ClCCn1c2ccc(-c3cccc4c3C(c3ccccn3)c3ccccc3-4)cc2c2cc(-c3cccc4c3C(c3ccccn3)c3ccccc3-4)ccc21.
What is the InChIKey of 9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole?
The InChIKey is FAKNEJNKSVUDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34ClN3/c51-25-28-54-45-23-21-31(33-15-9-17-37-35-11-1-3-13-39(35)49(47(33)37)43-19-5-7-26-52-43)29-41(45)42-30-32(22-24-46(42)54)34-16-10-18-38-36-12-2-4-14-40(36)50(48(34)38)44-20-6-8-27-53-44/h1-24,26-27,29-30,49-50H,25,28H2.
What are the key properties of 9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole?
9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole has a molecular weight of 712.30 g/mol, XLogP of 12.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloroethyl)-3,6-bis(9-pyridin-2-yl-9H-fluoren-1-yl)carbazole is sourced from PubChem (CID 141317109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).