3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole

C114H82BClN4O2 — CID 159654738

IUPAC3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc21.CC1(C)c2ccccc2-c2ccc(B(O)O)cc21.Clc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C57H40N2.C42H27ClN2.C15H15BO2/c1-57(2)51-22-12-9-19-45(51)46-28-25-39(36-52(46)57)42-32-40(37-26-29-55-49(34-37)47-20-10-13-23-53(47)58(55)43-15-5-3-6-16-43)31-41(33-42)38-27-30-56-50(35-38)48-21-11-14-24-54(48)59(56)44-17-7-4-8-18-44;43-32-24-30(28-19-21-41-37(26-28)35-15-7-9-17-39(35)44(41)33-11-3-1-4-12-33)23-31(25-32)29-20-22-42-38(27-29)36-16-8-10-18-40(36)45(42)34-13-5-2-6-14-34;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16(17)18)9-14(12)15/h3-36H,1-2H3;1-27H;3-9,17-18H,1-2H3
InChIKeyMSAKJDJKVCWVRZ-UHFFFAOYSA-N
MW1586.20 g/mol
LogP28.73
Rot. Bonds10

About 3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole

3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole (PubChem CID 159654738) has the molecular formula C114H82BClN4O2 and a molecular weight of 1586.20 g/mol. Its IUPAC name is 3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
PubChem CID159654738
Molecular FormulaC114H82BClN4O2
Molecular Weight1586.20 g/mol
Exact Mass1584.62
IUPAC Name3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc21.CC1(C)c2ccccc2-c2ccc(B(O)O)cc21.Clc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C57H40N2.C42H27ClN2.C15H15BO2/c1-57(2)51-22-12-9-19-45(51)46-28-25-39(36-52(46)57)42-32-40(37-26-29-55-49(34-37)47-20-10-13-23-53(47)58(55)43-15-5-3-6-16-43)31-41(33-42)38-27-30-56-50(35-38)48-21-11-14-24-54(48)59(56)44-17-7-4-8-18-44;43-32-24-30(28-19-21-41-37(26-28)35-15-7-9-17-39(35)44(41)33-11-3-1-4-12-33)23-31(25-32)29-20-22-42-38(27-29)36-16-8-10-18-40(36)45(42)34-13-5-2-6-14-34;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16(17)18)9-14(12)15/h3-36H,1-2H3;1-27H;3-9,17-18H,1-2H3
InChIKeyMSAKJDJKVCWVRZ-UHFFFAOYSA-N
XLogP28.73
TPSA60.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001586.20
LogP ≤ 528.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole 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

3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]boronic acid
CID 90219546
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
3,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 70808663
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724
(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)boronic acid
CID 67701948
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole (CID 159654738) is 3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)cc21.CC1(C)c2ccccc2-c2ccc(B(O)O)cc21.Clc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.
What is the InChIKey of 3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The InChIKey is MSAKJDJKVCWVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2.C42H27ClN2.C15H15BO2/c1-57(2)51-22-12-9-19-45(51)46-28-25-39(36-52(46)57)42-32-40(37-26-29-55-49(34-37)47-20-10-13-23-53(47)58(55)43-15-5-3-6-16-43)31-41(33-42)38-27-30-56-50(35-38)48-21-11-14-24-54(48)59(56)44-17-7-4-8-18-44;43-32-24-30(28-19-21-41-37(26-28)35-15-7-9-17-39(35)44(41)33-11-3-1-4-12-33)23-31(25-32)29-20-22-42-38(27-29)36-16-8-10-18-40(36)45(42)34-13-5-2-6-14-34;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16(17)18)9-14(12)15/h3-36H,1-2H3;1-27H;3-9,17-18H,1-2H3.
What are the key properties of 3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole has a molecular weight of 1586.20 g/mol, XLogP of 28.73, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;(9,9-dimethylfluoren-2-yl)boronic acid;3-[3-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 159654738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).