2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene

C127H87Br5O2 — CID 157256057

IUPAC2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene
SMILESBrc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.Brc1ccc(-c2ccc3oc4c5ccccc5c5ccccc5c4c3c2)cc1.Brc1ccc(-c2ccc3oc4ccc5ccccc5c4c3c2)cc1.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc(Br)cc4)c3)ccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(Br)c3)cc21
InChIInChI=1S/C31H21Br.C27H21Br.C26H15BrO.C22H13BrO.C21H17Br/c32-26-18-15-22(16-19-26)23-17-20-28-27-13-7-8-14-29(27)31(30(28)21-23,24-9-3-1-4-10-24)25-11-5-2-6-12-25;1-27(2)25-9-4-3-8-23(25)24-17-21(12-15-26(24)27)20-7-5-6-19(16-20)18-10-13-22(28)14-11-18;27-18-12-9-16(10-13-18)17-11-14-24-23(15-17)25-21-7-3-1-5-19(21)20-6-2-4-8-22(20)26(25)28-24;23-17-9-5-14(6-10-17)16-8-11-20-19(13-16)22-18-4-2-1-3-15(18)7-12-21(22)24-20;1-21(2)19-9-4-3-8-17(19)18-11-10-15(13-20(18)21)14-6-5-7-16(22)12-14/h1-21H;3-17H,1-2H3;1-15H;1-13H;3-13H,1-2H3
InChIKeyAWXFPHOZQTTYBU-UHFFFAOYSA-N
MW2044.61 g/mol
LogP38.48
Rot. Bonds8

About 2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene

2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene (PubChem CID 157256057) has the molecular formula C127H87Br5O2 and a molecular weight of 2044.61 g/mol. Its IUPAC name is 2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene
PubChem CID157256057
Molecular FormulaC127H87Br5O2
Molecular Weight2044.61 g/mol
Exact Mass2038.26
IUPAC Name2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene
SMILESBrc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.Brc1ccc(-c2ccc3oc4c5ccccc5c5ccccc5c4c3c2)cc1.Brc1ccc(-c2ccc3oc4ccc5ccccc5c4c3c2)cc1.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc(Br)cc4)c3)ccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(Br)c3)cc21
InChIInChI=1S/C31H21Br.C27H21Br.C26H15BrO.C22H13BrO.C21H17Br/c32-26-18-15-22(16-19-26)23-17-20-28-27-13-7-8-14-29(27)31(30(28)21-23,24-9-3-1-4-10-24)25-11-5-2-6-12-25;1-27(2)25-9-4-3-8-23(25)24-17-21(12-15-26(24)27)20-7-5-6-19(16-20)18-10-13-22(28)14-11-18;27-18-12-9-16(10-13-18)17-11-14-24-23(15-17)25-21-7-3-1-5-19(21)20-6-2-4-8-22(20)26(25)28-24;23-17-9-5-14(6-10-17)16-8-11-20-19(13-16)22-18-4-2-1-3-15(18)7-12-21(22)24-20;1-21(2)19-9-4-3-8-17(19)18-11-10-15(13-20(18)21)14-6-5-7-16(22)12-14/h1-21H;3-17H,1-2H3;1-15H;1-13H;3-13H,1-2H3
InChIKeyAWXFPHOZQTTYBU-UHFFFAOYSA-N
XLogP38.48
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002044.61
LogP ≤ 538.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene with MolForge

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

Launch Full Analysis

Related Compounds

9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 160807654
2-[8-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 167424106
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 161172662
2,4-bis(9,9-dimethylfluoren-2-yl)-6-[3-[3-(6-naphtho[2,1-b][1]benzofuran-10-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154613803
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964174
10-[1,2,3,4,5,6,7,8-octadeuterio-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 153473807
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-chrysen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 165088106
9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene
CID 158339037
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159318971
4-[3-(5-dibenzofuran-3-yltriphenylen-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-[3-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]phenyl]pyrimidine
CID 159973968
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 165029905
17-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 158872107

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene?
The IUPAC name of 2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene (CID 157256057) is 2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene?
The canonical SMILES for 2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene is Brc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.Brc1ccc(-c2ccc3oc4c5ccccc5c5ccccc5c4c3c2)cc1.Brc1ccc(-c2ccc3oc4ccc5ccccc5c4c3c2)cc1.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4ccc(Br)cc4)c3)ccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(Br)c3)cc21.
What is the InChIKey of 2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene?
The InChIKey is AWXFPHOZQTTYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21Br.C27H21Br.C26H15BrO.C22H13BrO.C21H17Br/c32-26-18-15-22(16-19-26)23-17-20-28-27-13-7-8-14-29(27)31(30(28)21-23,24-9-3-1-4-10-24)25-11-5-2-6-12-25;1-27(2)25-9-4-3-8-23(25)24-17-21(12-15-26(24)27)20-7-5-6-19(16-20)18-10-13-22(28)14-11-18;27-18-12-9-16(10-13-18)17-11-14-24-23(15-17)25-21-7-3-1-5-19(21)20-6-2-4-8-22(20)26(25)28-24;23-17-9-5-14(6-10-17)16-8-11-20-19(13-16)22-18-4-2-1-3-15(18)7-12-21(22)24-20;1-21(2)19-9-4-3-8-17(19)18-11-10-15(13-20(18)21)14-6-5-7-16(22)12-14/h1-21H;3-17H,1-2H3;1-15H;1-13H;3-13H,1-2H3.
What are the key properties of 2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene?
2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene has a molecular weight of 2044.61 g/mol, XLogP of 38.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-9,9-dimethylfluorene;2-(4-bromophenyl)-9,9-diphenylfluorene;10-(4-bromophenyl)naphtho[2,1-b][1]benzofuran;17-(4-bromophenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;3-[3-(4-bromophenyl)phenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 157256057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).