9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene

C38H26Br2 — CID 164755389

IUPAC9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene
SMILESCc1ccccc1-c1cccc2c1-c1ccc(-c3ccccc3)cc1C2(c1cccc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C38H26Br2/c1-25-10-5-6-17-32(25)33-18-9-19-35-37(33)34-21-20-27(26-11-3-2-4-12-26)22-36(34)38(35,28-13-7-15-30(39)23-28)29-14-8-16-31(40)24-29/h2-24H,1H3
InChIKeyYFSAVUKMBKMESX-UHFFFAOYSA-N
MW642.43 g/mol
LogP11.22
Rot. Bonds4

About 9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene

9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene (PubChem CID 164755389) has the molecular formula C38H26Br2 and a molecular weight of 642.43 g/mol. Its IUPAC name is 9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene.

Molecular Properties

Compound Name9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene
PubChem CID164755389
Molecular FormulaC38H26Br2
Molecular Weight642.43 g/mol
Exact Mass640.04
IUPAC Name9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene
SMILESCc1ccccc1-c1cccc2c1-c1ccc(-c3ccccc3)cc1C2(c1cccc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C38H26Br2/c1-25-10-5-6-17-32(25)33-18-9-19-35-37(33)34-21-20-27(26-11-3-2-4-12-26)22-36(34)38(35,28-13-7-15-30(39)23-28)29-14-8-16-31(40)24-29/h2-24H,1H3
InChIKeyYFSAVUKMBKMESX-UHFFFAOYSA-N
XLogP11.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.43
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene 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-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-(2-methylphenyl)-2-phenylfluorene
CID 164755273
9,9-bis(3,5-dibromophenyl)-2,5-diphenylfluorene
CID 164755471
3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755543
9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]
CID 164755510
1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene]
CID 161480521
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
CID 177115837
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
9,9-bis(3-bromophenyl)-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
CID 155009263
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-(2-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9,9-diphenylfluorene;1-methyl-7,9,9-triphenylfluorene;2-methyl-7,9,9-triphenylfluorene;5-methyl-2,9,9-triphenylfluorene;6-methyl-2,9,9-triphenylfluorene
CID 159751131
4-(3-methylphenyl)-9,9-diphenylfluorene;9-(2-methylphenyl)-9-phenylfluorene;9-(3-methylphenyl)-9-phenylfluorene;9-(4-methylphenyl)-9-phenylfluorene;2-methyl-9-phenyl-9-(4-phenylphenyl)fluorene
CID 159810853
9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
CID 87087450

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene?
The IUPAC name of 9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene (CID 164755389) is 9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene.
What is the SMILES notation for 9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene?
The canonical SMILES for 9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene is Cc1ccccc1-c1cccc2c1-c1ccc(-c3ccccc3)cc1C2(c1cccc(Br)c1)c1cccc(Br)c1.
What is the InChIKey of 9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene?
The InChIKey is YFSAVUKMBKMESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26Br2/c1-25-10-5-6-17-32(25)33-18-9-19-35-37(33)34-21-20-27(26-11-3-2-4-12-26)22-36(34)38(35,28-13-7-15-30(39)23-28)29-14-8-16-31(40)24-29/h2-24H,1H3.
What are the key properties of 9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene?
9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene has a molecular weight of 642.43 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(3-bromophenyl)-5-(2-methylphenyl)-2-phenylfluorene is sourced from PubChem (CID 164755389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).