1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole

C61H43Br2IN2 — CID 160677536

IUPAC1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole
SMILESBrc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1.Brc1ccc(-c2ccc(I)cc2)cc1.Cc1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H20BrN.C19H15N.C12H8BrI/c31-25-18-16-22(17-19-25)21-12-14-23(15-13-21)24-6-5-7-26(20-24)32-29-10-3-1-8-27(29)28-9-2-4-11-30(28)32;1-14-7-6-8-15(13-14)20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-20H;2-13H,1H3;1-8H
InChIKeyRNSHSILGGMOFKD-UHFFFAOYSA-N
MW1090.74 g/mol
LogP18.69
Rot. Bonds5

About 1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole

1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole (PubChem CID 160677536) has the molecular formula C61H43Br2IN2 and a molecular weight of 1090.74 g/mol. Its IUPAC name is 1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole.

Molecular Properties

Compound Name1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole
PubChem CID160677536
Molecular FormulaC61H43Br2IN2
Molecular Weight1090.74 g/mol
Exact Mass1088.08
IUPAC Name1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole
SMILESBrc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1.Brc1ccc(-c2ccc(I)cc2)cc1.Cc1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H20BrN.C19H15N.C12H8BrI/c31-25-18-16-22(17-19-25)21-12-14-23(15-13-21)24-6-5-7-26(20-24)32-29-10-3-1-8-27(29)28-9-2-4-11-30(28)32;1-14-7-6-8-15(13-14)20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-20H;2-13H,1H3;1-8H
InChIKeyRNSHSILGGMOFKD-UHFFFAOYSA-N
XLogP18.69
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.74
LogP ≤ 518.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
3-[3-(4-bromophenyl)-5-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 118289381
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172
9-(3-methylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501118
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
ethane;9-(3-methylphenyl)carbazole
CID 143904684
3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 90215090
2-bromo-9-(3-phenylphenyl)carbazole
CID 118242889
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
3-carbazol-9-yl-9-[4-[4-(3-methylphenyl)phenyl]phenyl]carbazole
CID 170198467
3-[3-(3-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118462638

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole?
The IUPAC name of 1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole (CID 160677536) is 1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole.
What is the SMILES notation for 1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole?
The canonical SMILES for 1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole is Brc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1.Brc1ccc(-c2ccc(I)cc2)cc1.Cc1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole?
The InChIKey is RNSHSILGGMOFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BrN.C19H15N.C12H8BrI/c31-25-18-16-22(17-19-25)21-12-14-23(15-13-21)24-6-5-7-26(20-24)32-29-10-3-1-8-27(29)28-9-2-4-11-30(28)32;1-14-7-6-8-15(13-14)20-18-11-4-2-9-16(18)17-10-3-5-12-19(17)20;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-20H;2-13H,1H3;1-8H.
What are the key properties of 1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole?
1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole has a molecular weight of 1090.74 g/mol, XLogP of 18.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-iodophenyl)benzene;9-[3-[4-(4-bromophenyl)phenyl]phenyl]carbazole;9-(3-methylphenyl)carbazole is sourced from PubChem (CID 160677536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).