3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole

C52H32Cl4N2 — CID 58883543

IUPAC3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole
SMILESClc1ccc2c(c1)c1cc(Cl)ccc1n2-c1ccc(Cc2c3ccccc3c(Cc3ccc(-n4c5ccc(Cl)cc5c5cc(Cl)ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C52H32Cl4N2/c53-33-13-21-49-45(27-33)46-28-34(54)14-22-50(46)57(49)37-17-9-31(10-18-37)25-43-39-5-1-2-6-40(39)44(42-8-4-3-7-41(42)43)26-32-11-19-38(20-12-32)58-51-23-15-35(55)29-47(51)48-30-36(56)16-24-52(48)58/h1-24,27-30H,25-26H2
InChIKeyYSZOILDTCPEBEH-UHFFFAOYSA-N
MW826.65 g/mol
LogP15.98
Rot. Bonds6

About 3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole

3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole (PubChem CID 58883543) has the molecular formula C52H32Cl4N2 and a molecular weight of 826.65 g/mol. Its IUPAC name is 3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole
PubChem CID58883543
Molecular FormulaC52H32Cl4N2
Molecular Weight826.65 g/mol
Exact Mass824.13
IUPAC Name3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole
SMILESClc1ccc2c(c1)c1cc(Cl)ccc1n2-c1ccc(Cc2c3ccccc3c(Cc3ccc(-n4c5ccc(Cl)cc5c5cc(Cl)ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C52H32Cl4N2/c53-33-13-21-49-45(27-33)46-28-34(54)14-22-50(46)57(49)37-17-9-31(10-18-37)25-43-39-5-1-2-6-40(39)44(42-8-4-3-7-41(42)43)26-32-11-19-38(20-12-32)58-51-23-15-35(55)29-47(51)48-30-36(56)16-24-52(48)58/h1-24,27-30H,25-26H2
InChIKeyYSZOILDTCPEBEH-UHFFFAOYSA-N
XLogP15.98
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.65
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
3-benzyl-9-(4-fluorophenyl)carbazole
CID 118374782
6-chloro-2-fluoro-9-phenylcarbazole
CID 142744719
9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272513
9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 143035757
9-phenyl-3-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272511
2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 152827310
[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
CID 58625620
3-(4-chlorophenyl)-9-phenylcarbazole
CID 59365524
(6-chloro-9-phenylcarbazol-1-yl)boronic acid
CID 166049001
9-(7-chlorodibenzofuran-3-yl)carbazole
CID 146507114
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole?
The IUPAC name of 3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole (CID 58883543) is 3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole.
What is the SMILES notation for 3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole?
The canonical SMILES for 3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole is Clc1ccc2c(c1)c1cc(Cl)ccc1n2-c1ccc(Cc2c3ccccc3c(Cc3ccc(-n4c5ccc(Cl)cc5c5cc(Cl)ccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole?
The InChIKey is YSZOILDTCPEBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32Cl4N2/c53-33-13-21-49-45(27-33)46-28-34(54)14-22-50(46)57(49)37-17-9-31(10-18-37)25-43-39-5-1-2-6-40(39)44(42-8-4-3-7-41(42)43)26-32-11-19-38(20-12-32)58-51-23-15-35(55)29-47(51)48-30-36(56)16-24-52(48)58/h1-24,27-30H,25-26H2.
What are the key properties of 3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole?
3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole has a molecular weight of 826.65 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-9-[4-[[10-[[4-(3,6-dichlorocarbazol-9-yl)phenyl]methyl]anthracen-9-yl]methyl]phenyl]carbazole is sourced from PubChem (CID 58883543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).