9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole

C30H26N2O2 — CID 4919768

IUPAC9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole
SMILESCC1OC(n2c3ccccc3c3ccccc32)C(C)OC1n1c2ccccc2c2ccccc21
InChIInChI=1S/C30H26N2O2/c1-19-29(31-25-15-7-3-11-21(25)22-12-4-8-16-26(22)31)34-20(2)30(33-19)32-27-17-9-5-13-23(27)24-14-6-10-18-28(24)32/h3-20,29-30H,1-2H3
InChIKeyFPILFFLXHSKNOF-UHFFFAOYSA-N
MW446.55 g/mol
LogP7.42
Rot. Bonds2

About 9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole

9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole (PubChem CID 4919768) has the molecular formula C30H26N2O2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole.

Molecular Properties

Compound Name9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole
PubChem CID4919768
Molecular FormulaC30H26N2O2
Molecular Weight446.55 g/mol
Exact Mass446.20
IUPAC Name9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole
SMILESCC1OC(n2c3ccccc3c3ccccc32)C(C)OC1n1c2ccccc2c2ccccc21
InChIInChI=1S/C30H26N2O2/c1-19-29(31-25-15-7-3-11-21(25)22-12-4-8-16-26(22)31)34-20(2)30(33-19)32-27-17-9-5-13-23(27)24-14-6-10-18-28(24)32/h3-20,29-30H,1-2H3
InChIKeyFPILFFLXHSKNOF-UHFFFAOYSA-N
XLogP7.42
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol
CID 15705736
(2R,3R,4S,5S,6R)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol
CID 146683638
25-oxa-1,6-diazaheptacyclo[11.9.2.12,5.06,24.07,12.016,23.017,22]pentacosa-7,9,11,13(24),14,16(23),17,19,21-nonaene
CID 85282088
9-(2,5-dimethylcyclohexyl)carbazole
CID 118351552
9-(13-carbazol-9-yl-6,7,8,9,17,18,19,20-octamethyl-4,11,15,22-tetrathiapentacyclo[12.8.0.03,12.05,10.016,21]docosan-2-yl)carbazole
CID 164998903
9-cyclobutylcarbazole
CID 66713557
9-cyclononylcarbazole
CID 139570160
9-(2,2-dichlorocyclopropyl)carbazole
CID 13171960
ethane;bis(9-methylcarbazole)
CID 159710949
9-[3,5-di(carbazol-9-yl)-6-methylcyclohexa-1,3-dien-1-yl]carbazole
CID 163450266
9-[(2R)-thietan-2-yl]carbazole
CID 871049
(2R,3S,5S)-14,15-dibromo-3-methoxy-25-oxa-1,6-diazaheptacyclo[11.9.2.12,5.06,24.07,12.016,23.017,22]pentacosa-7,9,11,13(24),14,16(23),17,19,21-nonaene
CID 163777513

Frequently Asked Questions

What is the IUPAC name of 9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole?
The IUPAC name of 9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole (CID 4919768) is 9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole.
What is the SMILES notation for 9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole?
The canonical SMILES for 9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole is CC1OC(n2c3ccccc3c3ccccc32)C(C)OC1n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole?
The InChIKey is FPILFFLXHSKNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O2/c1-19-29(31-25-15-7-3-11-21(25)22-12-4-8-16-26(22)31)34-20(2)30(33-19)32-27-17-9-5-13-23(27)24-14-6-10-18-28(24)32/h3-20,29-30H,1-2H3.
What are the key properties of 9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole?
9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole has a molecular weight of 446.55 g/mol, XLogP of 7.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole is sourced from PubChem (CID 4919768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).