1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

C34H34Cl2N4O2 — CID 2802372

IUPAC1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(CN1CCN(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H34Cl2N4O2/c35-23-9-11-33-29(17-23)30-18-24(36)10-12-34(30)40(33)22-26(42)20-38-15-13-37(14-16-38)19-25(41)21-39-31-7-3-1-5-27(31)28-6-2-4-8-32(28)39/h1-12,17-18,25-26,41-42H,13-16,19-22H2
InChIKeyJSINNAXMFTZUHV-UHFFFAOYSA-N
MW601.58 g/mol
LogP6.25
Rot. Bonds8

About 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (PubChem CID 2802372) has the molecular formula C34H34Cl2N4O2 and a molecular weight of 601.58 g/mol. Its IUPAC name is 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
PubChem CID2802372
Molecular FormulaC34H34Cl2N4O2
Molecular Weight601.58 g/mol
Exact Mass600.21
IUPAC Name1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(CN1CCN(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C34H34Cl2N4O2/c35-23-9-11-33-29(17-23)30-18-24(36)10-12-34(30)40(33)22-26(42)20-38-15-13-37(14-16-38)19-25(41)21-39-31-7-3-1-5-27(31)28-6-2-4-8-32(28)39/h1-12,17-18,25-26,41-42H,13-16,19-22H2
InChIKeyJSINNAXMFTZUHV-UHFFFAOYSA-N
XLogP6.25
TPSA56.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.58
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (CID 2802372) is 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is OC(CN1CCN(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The InChIKey is JSINNAXMFTZUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34Cl2N4O2/c35-23-9-11-33-29(17-23)30-18-24(36)10-12-34(30)40(33)22-26(42)20-38-15-13-37(14-16-38)19-25(41)21-39-31-7-3-1-5-27(31)28-6-2-4-8-32(28)39/h1-12,17-18,25-26,41-42H,13-16,19-22H2.
What are the key properties of 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol has a molecular weight of 601.58 g/mol, XLogP of 6.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2802372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).