2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole

C153H100Br3N3 — CID 158943768

IUPAC2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole
SMILESBrc1ccccc1-c1cccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3c2)c1.Brc1ccccc1-c1cccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3c2)c1.Brc1ccccc1-c1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3c2)c1
InChIInChI=1S/C55H36BrN.2C49H32BrN/c56-51-27-11-8-21-44(51)40-16-13-15-38(35-40)39-31-34-47-46-22-9-12-28-52(46)57(53(47)36-39)43-32-29-37(30-33-43)45-24-14-26-50-54(45)48-23-7-10-25-49(48)55(50,41-17-3-1-4-18-41)42-19-5-2-6-20-42;50-44-26-11-8-21-38(44)35-16-13-15-33(31-35)34-29-30-40-39-22-9-12-27-45(39)51(47(40)32-34)46-28-14-25-43-48(46)41-23-7-10-24-42(41)49(43,36-17-3-1-4-18-36)37-19-5-2-6-20-37;50-46-24-11-8-20-39(46)35-15-13-14-33(30-35)34-26-28-42-41-22-9-12-25-47(41)51(48(42)31-34)38-27-29-45-43(32-38)40-21-7-10-23-44(40)49(45,36-16-3-1-4-17-36)37-18-5-2-6-19-37/h1-36H;2*1-32H
InChIKeyJKONLSKXDPDXGW-UHFFFAOYSA-N
MW2220.22 g/mol
LogP41.40
Rot. Bonds16

About 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole

2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole (PubChem CID 158943768) has the molecular formula C153H100Br3N3 and a molecular weight of 2220.22 g/mol. Its IUPAC name is 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole
PubChem CID158943768
Molecular FormulaC153H100Br3N3
Molecular Weight2220.22 g/mol
Exact Mass2215.55
IUPAC Name2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole
SMILESBrc1ccccc1-c1cccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3c2)c1.Brc1ccccc1-c1cccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3c2)c1.Brc1ccccc1-c1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3c2)c1
InChIInChI=1S/C55H36BrN.2C49H32BrN/c56-51-27-11-8-21-44(51)40-16-13-15-38(35-40)39-31-34-47-46-22-9-12-28-52(46)57(53(47)36-39)43-32-29-37(30-33-43)45-24-14-26-50-54(45)48-23-7-10-25-49(48)55(50,41-17-3-1-4-18-41)42-19-5-2-6-20-42;50-44-26-11-8-21-38(44)35-16-13-15-33(31-35)34-29-30-40-39-22-9-12-27-45(39)51(47(40)32-34)46-28-14-25-43-48(46)41-23-7-10-24-42(41)49(43,36-17-3-1-4-18-36)37-19-5-2-6-20-37;50-46-24-11-8-20-39(46)35-15-13-14-33(30-35)34-26-28-42-41-22-9-12-25-47(41)51(48(42)31-34)38-27-29-45-43(32-38)40-21-7-10-23-44(40)49(45,36-16-3-1-4-17-36)37-18-5-2-6-19-37/h1-36H;2*1-32H
InChIKeyJKONLSKXDPDXGW-UHFFFAOYSA-N
XLogP41.40
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms159
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002220.22
LogP ≤ 541.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole?
The IUPAC name of 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole (CID 158943768) is 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole.
What is the SMILES notation for 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole?
The canonical SMILES for 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole is Brc1ccccc1-c1cccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3c2)c1.Brc1ccccc1-c1cccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3c2)c1.Brc1ccccc1-c1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3c2)c1.
What is the InChIKey of 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole?
The InChIKey is JKONLSKXDPDXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36BrN.2C49H32BrN/c56-51-27-11-8-21-44(51)40-16-13-15-38(35-40)39-31-34-47-46-22-9-12-28-52(46)57(53(47)36-39)43-32-29-37(30-33-43)45-24-14-26-50-54(45)48-23-7-10-25-49(48)55(50,41-17-3-1-4-18-41)42-19-5-2-6-20-42;50-44-26-11-8-21-38(44)35-16-13-15-33(31-35)34-29-30-40-39-22-9-12-27-45(39)51(47(40)32-34)46-28-14-25-43-48(46)41-23-7-10-24-42(41)49(43,36-17-3-1-4-18-36)37-19-5-2-6-20-37;50-46-24-11-8-20-39(46)35-15-13-14-33(30-35)34-26-28-42-41-22-9-12-25-47(41)51(48(42)31-34)38-27-29-45-43(32-38)40-21-7-10-23-44(40)49(45,36-16-3-1-4-17-36)37-18-5-2-6-19-37/h1-36H;2*1-32H.
What are the key properties of 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole?
2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole has a molecular weight of 2220.22 g/mol, XLogP of 41.40, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole is sourced from PubChem (CID 158943768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).