9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole

C30H26N2O2 — CID 4157972

IUPAC9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2CC(Cn1c2ccccc2c2ccccc21)OCC1CO1
InChIInChI=1S/C30H26N2O2/c1-5-13-27-23(9-1)24-10-2-6-14-28(24)31(27)17-21(33-19-22-20-34-22)18-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16,21-22H,17-20H2
InChIKeyPGTWJVMWHCPMFD-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.39
Rot. Bonds7

About 9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole

9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole (PubChem CID 4157972) has the molecular formula C30H26N2O2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole
PubChem CID4157972
Molecular FormulaC30H26N2O2
Molecular Weight446.55 g/mol
Exact Mass446.20
IUPAC Name9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2CC(Cn1c2ccccc2c2ccccc21)OCC1CO1
InChIInChI=1S/C30H26N2O2/c1-5-13-27-23(9-1)24-10-2-6-14-28(24)31(27)17-21(33-19-22-20-34-22)18-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16,21-22H,17-20H2
InChIKeyPGTWJVMWHCPMFD-UHFFFAOYSA-N
XLogP6.39
TPSA31.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
9-(Morpholinomethyl)carbazole
CID 1713692
9-[(4-Methyl-1,3-dioxolan-2-yl)methyl]carbazole
CID 3769030
9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-9H-carbazole
CID 3849285
alpha-((Dipropylamino)methyl)-9H-carbazole-9-ethanol
CID 2802130
9-[(oxiran-2-yl)methyl]-9H-carbazole
CID 2775507
Cambridge id 5723280
CID 2864698
1-Morpholin-4-yl-3-(1,2,3,4-tetrahydro-carbazol-9-yl)-propan-2-ol
CID 14415827
1,3-di(9H-carbazol-9-yl)propan-2-ol
CID 1898613
1-(4-Benzyl-piperazin-1-yl)-3-carbazol-9-yl-propan-2-ol
CID 2841332
1-Carbazol-9-yl-3-(2-hydroxy-ethylamino)-propan-2-ol
CID 2859847

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole (CID 4157972) is 9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole is c1ccc2c(c1)c1ccccc1n2CC(Cn1c2ccccc2c2ccccc21)OCC1CO1.
What is the InChIKey of 9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole?
The InChIKey is PGTWJVMWHCPMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O2/c1-5-13-27-23(9-1)24-10-2-6-14-28(24)31(27)17-21(33-19-22-20-34-22)18-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-16,21-22H,17-20H2.
What are the key properties of 9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole?
9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole has a molecular weight of 446.55 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-2-(oxiran-2-ylmethoxy)propyl]carbazole is sourced from PubChem (CID 4157972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).