9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran

C98H70BrN3O2 — CID 157434196

IUPAC9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran
SMILESBrc1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.C.c1ccc(-c2ccccc2Cc2ccc3c(c2)oc2ccccc23)cc1.c1ccc(-c2ccccc2N(c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C48H32N2O.C25H18O.C24H16BrN.CH4/c1-2-13-34(14-3-1)39-17-4-8-21-44(39)49(38-29-30-43-42-20-7-11-24-47(42)51-48(43)32-38)37-16-12-15-35(31-37)33-25-27-36(28-26-33)50-45-22-9-5-18-40(45)41-19-6-10-23-46(41)50;1-2-8-19(9-3-1)21-11-5-4-10-20(21)16-18-14-15-23-22-12-6-7-13-24(22)26-25(23)17-18;25-19-7-5-6-18(16-19)17-12-14-20(15-13-17)26-23-10-3-1-8-21(23)22-9-2-4-11-24(22)26;/h1-32H;1-15,17H,16H2;1-16H;1H4
InChIKeyBQWYTHNXBVSCQG-UHFFFAOYSA-N
MW1401.56 g/mol
LogP28.18
Rot. Bonds11

About 9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran

9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran (PubChem CID 157434196) has the molecular formula C98H70BrN3O2 and a molecular weight of 1401.56 g/mol. Its IUPAC name is 9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran.

Molecular Properties

Compound Name9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran
PubChem CID157434196
Molecular FormulaC98H70BrN3O2
Molecular Weight1401.56 g/mol
Exact Mass1399.47
IUPAC Name9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran
SMILESBrc1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.C.c1ccc(-c2ccccc2Cc2ccc3c(c2)oc2ccccc23)cc1.c1ccc(-c2ccccc2N(c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C48H32N2O.C25H18O.C24H16BrN.CH4/c1-2-13-34(14-3-1)39-17-4-8-21-44(39)49(38-29-30-43-42-20-7-11-24-47(42)51-48(43)32-38)37-16-12-15-35(31-37)33-25-27-36(28-26-33)50-45-22-9-5-18-40(45)41-19-6-10-23-46(41)50;1-2-8-19(9-3-1)21-11-5-4-10-20(21)16-18-14-15-23-22-12-6-7-13-24(22)26-25(23)17-18;25-19-7-5-6-18(16-19)17-12-14-20(15-13-17)26-23-10-3-1-8-21(23)22-9-2-4-11-24(22)26;/h1-32H;1-15,17H,16H2;1-16H;1H4
InChIKeyBQWYTHNXBVSCQG-UHFFFAOYSA-N
XLogP28.18
TPSA39.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001401.56
LogP ≤ 528.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran with MolForge

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Related Compounds

4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
CID 66585175
9-[3-[9-[7-(Trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole-3-carbonitrile
CID 71278345
2-(1-Adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
CID 89965883
N-[4-(4-fluorophenyl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 90194011
N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 90194063
N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 90194067
N-[6-(9-dibenzofuran-3-ylcarbazol-2-yl)naphthalen-2-yl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]phenanthren-2-amine
CID 90194069
N-[4-(4-fluorophenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 90194089
2-(1-Adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-(trifluoromethyl)benzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole
CID 90213676
N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)ethenyl]dibenzofuran-3-amine
CID 90360971
N-(2-fluorophenyl)-N-naphthalen-2-yl-7-[(E)-3-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)but-2-en-2-yl]dibenzofuran-3-amine
CID 90360977
N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzofuran-3-amine
CID 90363935

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran?
The IUPAC name of 9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran (CID 157434196) is 9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran.
What is the SMILES notation for 9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran?
The canonical SMILES for 9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran is Brc1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.C.c1ccc(-c2ccccc2Cc2ccc3c(c2)oc2ccccc23)cc1.c1ccc(-c2ccccc2N(c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran?
The InChIKey is BQWYTHNXBVSCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O.C25H18O.C24H16BrN.CH4/c1-2-13-34(14-3-1)39-17-4-8-21-44(39)49(38-29-30-43-42-20-7-11-24-47(42)51-48(43)32-38)37-16-12-15-35(31-37)33-25-27-36(28-26-33)50-45-22-9-5-18-40(45)41-19-6-10-23-46(41)50;1-2-8-19(9-3-1)21-11-5-4-10-20(21)16-18-14-15-23-22-12-6-7-13-24(22)26-25(23)17-18;25-19-7-5-6-18(16-19)17-12-14-20(15-13-17)26-23-10-3-1-8-21(23)22-9-2-4-11-24(22)26;/h1-32H;1-15,17H,16H2;1-16H;1H4.
What are the key properties of 9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran?
9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran has a molecular weight of 1401.56 g/mol, XLogP of 28.18, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-bromophenyl)phenyl]carbazole;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;methane;3-[(2-phenylphenyl)methyl]dibenzofuran is sourced from PubChem (CID 157434196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).