iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

C76H63BIN3O3 — CID 167711834

IUPACiodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESC.CC1(C)OB(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)OC1(C)C.CI.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc6oc7c(c6c5)c5ccccc5n7-c5ccccc5)cc4)cc32)cc1
InChIInChI=1S/C44H28N2O.C30H28BNO2.CH3I.CH4/c1-3-11-33(12-4-1)45-39-17-9-7-15-35(39)36-25-23-32(28-41(36)45)30-21-19-29(20-22-30)31-24-26-42-38(27-31)43-37-16-8-10-18-40(37)46(44(43)47-42)34-13-5-2-6-14-34;1-29(2)30(3,4)34-31(33-29)23-17-14-21(15-18-23)22-16-19-26-25-12-8-9-13-27(25)32(28(26)20-22)24-10-6-5-7-11-24;1-2;/h1-28H;5-20H,1-4H3;1H3;1H4
InChIKeyZYMGFDQGNYCFMZ-UHFFFAOYSA-N
MW1204.07 g/mol
LogP20.40
Rot. Bonds7

About iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (PubChem CID 167711834) has the molecular formula C76H63BIN3O3 and a molecular weight of 1204.07 g/mol. Its IUPAC name is iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Nameiodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
PubChem CID167711834
Molecular FormulaC76H63BIN3O3
Molecular Weight1204.07 g/mol
Exact Mass1203.40
IUPAC Nameiodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
SMILESC.CC1(C)OB(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)OC1(C)C.CI.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc6oc7c(c6c5)c5ccccc5n7-c5ccccc5)cc4)cc32)cc1
InChIInChI=1S/C44H28N2O.C30H28BNO2.CH3I.CH4/c1-3-11-33(12-4-1)45-39-17-9-7-15-35(39)36-25-23-32(28-41(36)45)30-21-19-29(20-22-30)31-24-26-42-38(27-31)43-37-16-8-10-18-40(37)46(44(43)47-42)34-13-5-2-6-14-34;1-29(2)30(3,4)34-31(33-29)23-17-14-21(15-18-23)22-16-19-26-25-12-8-9-13-27(25)32(28(26)20-22)24-10-6-5-7-11-24;1-2;/h1-28H;5-20H,1-4H3;1H3;1H4
InChIKeyZYMGFDQGNYCFMZ-UHFFFAOYSA-N
XLogP20.40
TPSA46.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001204.07
LogP ≤ 520.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole with MolForge

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Related Compounds

2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168644
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964
9-[4-[4-(8-bromodibenzofuran-2-yl)phenyl]phenyl]carbazole;2,8-dibromodibenzofuran;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
CID 158091716
6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 176780559
3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169014
2-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168921
potassium;methane;9-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;acetate
CID 157104139
3-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169158
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 142710964
2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168646
6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167550552

Frequently Asked Questions

What is the IUPAC name of iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The IUPAC name of iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole (CID 167711834) is iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole.
What is the SMILES notation for iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The canonical SMILES for iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is C.CC1(C)OB(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)OC1(C)C.CI.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(-c5ccc6oc7c(c6c5)c5ccccc5n7-c5ccccc5)cc4)cc32)cc1.
What is the InChIKey of iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
The InChIKey is ZYMGFDQGNYCFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O.C30H28BNO2.CH3I.CH4/c1-3-11-33(12-4-1)45-39-17-9-7-15-35(39)36-25-23-32(28-41(36)45)30-21-19-29(20-22-30)31-24-26-42-38(27-31)43-37-16-8-10-18-40(37)46(44(43)47-42)34-13-5-2-6-14-34;1-29(2)30(3,4)34-31(33-29)23-17-14-21(15-18-23)22-16-19-26-25-12-8-9-13-27(25)32(28(26)20-22)24-10-6-5-7-11-24;1-2;/h1-28H;5-20H,1-4H3;1H3;1H4.
What are the key properties of iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole?
iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole has a molecular weight of 1204.07 g/mol, XLogP of 20.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;methane;6-phenyl-2-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole;9-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole is sourced from PubChem (CID 167711834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).