ethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C38H47BN2O2 — CID 145133606

IUPACethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCC.CC.CC.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccc3c(ccn3-c3ccccc3)c2)OC1(C)C
InChIInChI=1S/C32H29BN2O2.3C2H6/c1-31(2)32(3,4)37-33(36-31)23-14-16-30-27(21-23)26-12-8-9-13-29(26)35(30)25-15-17-28-22(20-25)18-19-34(28)24-10-6-5-7-11-24;3*1-2/h5-21H,1-4H3;3*1-2H3
InChIKeyOMUXMEDEFQFPRB-UHFFFAOYSA-N
MW574.62 g/mol
LogP10.11
Rot. Bonds3

About ethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

ethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 145133606) has the molecular formula C38H47BN2O2 and a molecular weight of 574.62 g/mol. Its IUPAC name is ethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound Nameethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID145133606
Molecular FormulaC38H47BN2O2
Molecular Weight574.62 g/mol
Exact Mass574.37
IUPAC Nameethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCC.CC.CC.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccc3c(ccn3-c3ccccc3)c2)OC1(C)C
InChIInChI=1S/C32H29BN2O2.3C2H6/c1-31(2)32(3,4)37-33(36-31)23-14-16-30-27(21-23)26-12-8-9-13-29(26)35(30)25-15-17-28-22(20-25)18-19-34(28)24-10-6-5-7-11-24;3*1-2/h5-21H,1-4H3;3*1-2H3
InChIKeyOMUXMEDEFQFPRB-UHFFFAOYSA-N
XLogP10.11
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.62
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Pentyl-3-[(1-pentylindol-1-ium-3-ylidene)-(1-pentylindol-3-yl)methyl]indole
CID 52948379
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 16217778
3,3'-(2-pyridinylmethylene)bis(1-methyl-1H-indole)
CID 2948951
1-Butyl-3-[(1-butylindol-1-ium-3-ylidene)-(1-butylindol-3-yl)methyl]indole;methanesulfonate
CID 52942421
1-Hexyl-3-[(1-hexylindol-1-ium-3-ylidene)-(1-hexylindol-3-yl)methyl]indole;methanesulfonate
CID 52942423
1-Ethyl-3-[(1-ethylindol-1-ium-3-ylidene)-(1-ethylindol-3-yl)methyl]indole;methanesulfonate
CID 52942542
Methanesulfonate;1-propyl-3-[(1-propylindol-1-ium-3-ylidene)-(1-propylindol-3-yl)methyl]indole
CID 52949722
Mls002639025
CID 230289
Methanesulfonate;1-methyl-3-[(1-methylindol-1-ium-3-ylidene)-(1-methylindol-3-yl)methyl]indole
CID 52946138
1-Methyl-3-[(1-methylindol-3-yl)methyl]indole
CID 9878666
9-n-Octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 11318555
9-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9H-carbazole
CID 11850073

Frequently Asked Questions

What is the IUPAC name of ethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of ethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 145133606) is ethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for ethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for ethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is CC.CC.CC.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccc3c(ccn3-c3ccccc3)c2)OC1(C)C.
What is the InChIKey of ethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is OMUXMEDEFQFPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29BN2O2.3C2H6/c1-31(2)32(3,4)37-33(36-31)23-14-16-30-27(21-23)26-12-8-9-13-29(26)35(30)25-15-17-28-22(20-25)18-19-34(28)24-10-6-5-7-11-24;3*1-2/h5-21H,1-4H3;3*1-2H3.
What are the key properties of ethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
ethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 574.62 g/mol, XLogP of 10.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(1-phenylindol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 145133606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).