2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C90H78BBrClN3O4 — CID 157439720

IUPAC2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESC.C.C.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.Clc1cc(-c2ccccc2)cc(-c2ccccc2)n1.O=C1c2ccccc2Cc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.O=C1c2ccccc2Cc2ccc(Br)cc21
InChIInChI=1S/C32H21NO.C24H24BNO2.C17H12ClN.C14H9BrO.3CH4/c34-32-26-11-5-4-8-23(26)18-24-15-14-21(19-28(24)32)22-16-17-31-29(20-22)27-12-6-7-13-30(27)33(31)25-9-2-1-3-10-25;1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18;18-17-12-15(13-7-3-1-4-8-13)11-16(19-17)14-9-5-2-6-10-14;15-11-6-5-10-7-9-3-1-2-4-12(9)14(16)13(10)8-11;;;/h1-17,19-20H,18H2;5-16H,1-4H3;1-12H;1-6,8H,7H2;3*1H4
InChIKeyBRNFBLYSSKKUTK-UHFFFAOYSA-N
MW1391.80 g/mol
LogP23.23
Rot. Bonds6

About 2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 157439720) has the molecular formula C90H78BBrClN3O4 and a molecular weight of 1391.80 g/mol. Its IUPAC name is 2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound Name2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID157439720
Molecular FormulaC90H78BBrClN3O4
Molecular Weight1391.80 g/mol
Exact Mass1389.50
IUPAC Name2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESC.C.C.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.Clc1cc(-c2ccccc2)cc(-c2ccccc2)n1.O=C1c2ccccc2Cc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.O=C1c2ccccc2Cc2ccc(Br)cc21
InChIInChI=1S/C32H21NO.C24H24BNO2.C17H12ClN.C14H9BrO.3CH4/c34-32-26-11-5-4-8-23(26)18-24-15-14-21(19-28(24)32)22-16-17-31-29(20-22)27-12-6-7-13-30(27)33(31)25-9-2-1-3-10-25;1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18;18-17-12-15(13-7-3-1-4-8-13)11-16(19-17)14-9-5-2-6-10-14;15-11-6-5-10-7-9-3-1-2-4-12(9)14(16)13(10)8-11;;;/h1-17,19-20H,18H2;5-16H,1-4H3;1-12H;1-6,8H,7H2;3*1H4
InChIKeyBRNFBLYSSKKUTK-UHFFFAOYSA-N
XLogP23.23
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001391.80
LogP ≤ 523.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 158046446
3-bromo-6-phenyl-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 158301935
ethane;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;5,14,23-tribromo-9,9,18,18,27,27-hexamethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 162017158
3-bromo-9H-xanthene;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10H-acridin-9-one;9-(4,6-diphenylpyrimidin-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1-iodo-4-phenylbenzene;methane
CID 159942790
3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 159493600
3-(8-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-phenyl-3-[8-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;9-phenyl-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-2-yl]carbazole
CID 159896388
9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 139270302
2-bromo-9,9-dimethylfluorene;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 157054225
3-[9-(3-bromophenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(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
CID 158893263
1-bromo-3-(3-bromophenyl)benzene;3,6-dibromo-9-phenylcarbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 159669749
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 145257430
1-bromo-4-chlorobenzene;3-bromodibenzofuran;2-bromo-9H-fluorene;9-(4-chlorophenyl)-2-phenylcarbazole;phenylboronic acid;2-phenyl-9H-fluorene;2-phenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;bis(4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane)
CID 158470073

Frequently Asked Questions

What is the IUPAC name of 2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of 2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 157439720) is 2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for 2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for 2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is C.C.C.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.Clc1cc(-c2ccccc2)cc(-c2ccccc2)n1.O=C1c2ccccc2Cc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.O=C1c2ccccc2Cc2ccc(Br)cc21.
What is the InChIKey of 2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is BRNFBLYSSKKUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NO.C24H24BNO2.C17H12ClN.C14H9BrO.3CH4/c34-32-26-11-5-4-8-23(26)18-24-15-14-21(19-28(24)32)22-16-17-31-29(20-22)27-12-6-7-13-30(27)33(31)25-9-2-1-3-10-25;1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18;18-17-12-15(13-7-3-1-4-8-13)11-16(19-17)14-9-5-2-6-10-14;15-11-6-5-10-7-9-3-1-2-4-12(9)14(16)13(10)8-11;;;/h1-17,19-20H,18H2;5-16H,1-4H3;1-12H;1-6,8H,7H2;3*1H4.
What are the key properties of 2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 1391.80 g/mol, XLogP of 23.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 157439720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).