9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole

C33H32N2O3 — CID 5104108

IUPAC9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole
SMILESCC1(C)OCC(COC(Cn2c3ccccc3c3ccccc32)Cn2c3ccccc3c3ccccc32)O1
InChIInChI=1S/C33H32N2O3/c1-33(2)37-22-24(38-33)21-36-23(19-34-29-15-7-3-11-25(29)26-12-4-8-16-30(26)34)20-35-31-17-9-5-13-27(31)28-14-6-10-18-32(28)35/h3-18,23-24H,19-22H2,1-2H3
InChIKeyTWCPBQSBNOCBRQ-UHFFFAOYSA-N
MW504.63 g/mol
LogP7.14
Rot. Bonds7

About 9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole

9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole (PubChem CID 5104108) has the molecular formula C33H32N2O3 and a molecular weight of 504.63 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole
PubChem CID5104108
Molecular FormulaC33H32N2O3
Molecular Weight504.63 g/mol
Exact Mass504.24
IUPAC Name9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole
SMILESCC1(C)OCC(COC(Cn2c3ccccc3c3ccccc32)Cn2c3ccccc3c3ccccc32)O1
InChIInChI=1S/C33H32N2O3/c1-33(2)37-22-24(38-33)21-36-23(19-34-29-15-7-3-11-25(29)26-12-4-8-16-30(26)34)20-35-31-17-9-5-13-27(31)28-14-6-10-18-32(28)35/h3-18,23-24H,19-22H2,1-2H3
InChIKeyTWCPBQSBNOCBRQ-UHFFFAOYSA-N
XLogP7.14
TPSA37.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole with MolForge

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Related Compounds

(4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane
CID 71365815
9-[(2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl]carbazole
CID 3533724
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(1-methylindol-3-yl)propanoate
CID 166669160
3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,5-dihydro-2,4,3-benzodioxaphosphepine
CID 101131968
bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate
CID 165344136
2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridine
CID 10420609
[1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-yl] acetate
CID 102420376
(4S)-2,2-dimethyl-4-[(4-phenoxyphenoxy)methyl]-1,3-dioxolane
CID 57225291
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl-triphenylphosphanium bromide
CID 11059758
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol
CID 126708776
9-[[(4S)-2,2-dipropyl-1,3-dioxolan-4-yl]methyl]carbazole
CID 40518170

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole (CID 5104108) is 9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole is CC1(C)OCC(COC(Cn2c3ccccc3c3ccccc32)Cn2c3ccccc3c3ccccc32)O1.
What is the InChIKey of 9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole?
The InChIKey is TWCPBQSBNOCBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O3/c1-33(2)37-22-24(38-33)21-36-23(19-34-29-15-7-3-11-25(29)26-12-4-8-16-30(26)34)20-35-31-17-9-5-13-27(31)28-14-6-10-18-32(28)35/h3-18,23-24H,19-22H2,1-2H3.
What are the key properties of 9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole?
9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole has a molecular weight of 504.63 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]propyl]carbazole is sourced from PubChem (CID 5104108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).