9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene

C102H77Br3N4O6 — CID 159437206

IUPAC9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene
SMILESCOc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2OC)cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2OC)c1.COc1ccc(Br)cc1-c1cc(-c2cc(Br)ccc2OC)cc(-c2cc(Br)ccc2OC)c1.[H][2H].c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C63H45N3O3.C27H21Br3O3.C12H9N.H2/c1-67-61-31-28-43(64-55-22-10-4-16-46(55)47-17-5-11-23-56(47)64)37-52(61)40-34-41(53-38-44(29-32-62(53)68-2)65-57-24-12-6-18-48(57)49-19-7-13-25-58(49)65)36-42(35-40)54-39-45(30-33-63(54)69-3)66-59-26-14-8-20-50(59)51-21-9-15-27-60(51)66;1-31-25-7-4-19(28)13-22(25)16-10-17(23-14-20(29)5-8-26(23)32-2)12-18(11-16)24-15-21(30)6-9-27(24)33-3;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h4-39H,1-3H3;4-15H,1-3H3;1-8,13H;1H/i;;;1+1
InChIKeyLRSNEOMCBGYCGM-SGNQUONSSA-N
MW1695.48 g/mol
LogP28.57
Rot. Bonds15

About 9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene

9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene (PubChem CID 159437206) has the molecular formula C102H77Br3N4O6 and a molecular weight of 1695.48 g/mol. Its IUPAC name is 9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene.

Molecular Properties

Compound Name9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene
PubChem CID159437206
Molecular FormulaC102H77Br3N4O6
Molecular Weight1695.48 g/mol
Exact Mass1691.35
IUPAC Name9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene
SMILESCOc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2OC)cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2OC)c1.COc1ccc(Br)cc1-c1cc(-c2cc(Br)ccc2OC)cc(-c2cc(Br)ccc2OC)c1.[H][2H].c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C63H45N3O3.C27H21Br3O3.C12H9N.H2/c1-67-61-31-28-43(64-55-22-10-4-16-46(55)47-17-5-11-23-56(47)64)37-52(61)40-34-41(53-38-44(29-32-62(53)68-2)65-57-24-12-6-18-48(57)49-19-7-13-25-58(49)65)36-42(35-40)54-39-45(30-33-63(54)69-3)66-59-26-14-8-20-50(59)51-21-9-15-27-60(51)66;1-31-25-7-4-19(28)13-22(25)16-10-17(23-14-20(29)5-8-26(23)32-2)12-18(11-16)24-15-21(30)6-9-27(24)33-3;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h4-39H,1-3H3;4-15H,1-3H3;1-8,13H;1H/i;;;1+1
InChIKeyLRSNEOMCBGYCGM-SGNQUONSSA-N
XLogP28.57
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001695.48
LogP ≤ 528.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene?
The IUPAC name of 9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene (CID 159437206) is 9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene.
What is the SMILES notation for 9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene?
The canonical SMILES for 9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene is COc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2OC)cc(-c2cc(-n3c4ccccc4c4ccccc43)ccc2OC)c1.COc1ccc(Br)cc1-c1cc(-c2cc(Br)ccc2OC)cc(-c2cc(Br)ccc2OC)c1.[H][2H].c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene?
The InChIKey is LRSNEOMCBGYCGM-SGNQUONSSA-N. The full InChI is InChI=1S/C63H45N3O3.C27H21Br3O3.C12H9N.H2/c1-67-61-31-28-43(64-55-22-10-4-16-46(55)47-17-5-11-23-56(47)64)37-52(61)40-34-41(53-38-44(29-32-62(53)68-2)65-57-24-12-6-18-48(57)49-19-7-13-25-58(49)65)36-42(35-40)54-39-45(30-33-63(54)69-3)66-59-26-14-8-20-50(59)51-21-9-15-27-60(51)66;1-31-25-7-4-19(28)13-22(25)16-10-17(23-14-20(29)5-8-26(23)32-2)12-18(11-16)24-15-21(30)6-9-27(24)33-3;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h4-39H,1-3H3;4-15H,1-3H3;1-8,13H;1H/i;;;1+1.
What are the key properties of 9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene?
9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene has a molecular weight of 1695.48 g/mol, XLogP of 28.57, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3,5-bis(5-carbazol-9-yl-2-methoxyphenyl)phenyl]-4-methoxyphenyl]carbazole;9H-carbazole;deuterium monohydride;1,3,5-tris(5-bromo-2-methoxyphenyl)benzene is sourced from PubChem (CID 159437206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).