3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole

C58H43N3 — CID 70866701

IUPAC3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C)ccc6n7-c6ccc(C)cc6)ccc4n5-c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C58H43N3/c1-36-9-20-44(21-10-36)59-53-8-6-5-7-47(53)49-32-40(16-27-55(49)59)42-18-29-57-51(34-42)52-35-43(19-30-58(52)61(57)46-24-13-38(3)14-25-46)41-17-28-56-50(33-41)48-31-39(4)15-26-54(48)60(56)45-22-11-37(2)12-23-45/h5-35H,1-4H3
InChIKeyMZVNUJCOJZWSLJ-UHFFFAOYSA-N
MW782.00 g/mol
LogP15.55
Rot. Bonds5

About 3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole

3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole (PubChem CID 70866701) has the molecular formula C58H43N3 and a molecular weight of 782.00 g/mol. Its IUPAC name is 3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
PubChem CID70866701
Molecular FormulaC58H43N3
Molecular Weight782.00 g/mol
Exact Mass781.35
IUPAC Name3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C)ccc6n7-c6ccc(C)cc6)ccc4n5-c4ccc(C)cc4)ccc32)cc1
InChIInChI=1S/C58H43N3/c1-36-9-20-44(21-10-36)59-53-8-6-5-7-47(53)49-32-40(16-27-55(49)59)42-18-29-57-51(34-42)52-35-43(19-30-58(52)61(57)46-24-13-38(3)14-25-46)41-17-28-56-50(33-41)48-31-39(4)15-26-54(48)60(56)45-22-11-37(2)12-23-45/h5-35H,1-4H3
InChIKeyMZVNUJCOJZWSLJ-UHFFFAOYSA-N
XLogP15.55
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.00
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
CID 59383733
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 118330173
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160753219
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole?
The IUPAC name of 3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole (CID 70866701) is 3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole?
The canonical SMILES for 3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C)ccc6n7-c6ccc(C)cc6)ccc4n5-c4ccc(C)cc4)ccc32)cc1.
What is the InChIKey of 3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole?
The InChIKey is MZVNUJCOJZWSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N3/c1-36-9-20-44(21-10-36)59-53-8-6-5-7-47(53)49-32-40(16-27-55(49)59)42-18-29-57-51(34-42)52-35-43(19-30-58(52)61(57)46-24-13-38(3)14-25-46)41-17-28-56-50(33-41)48-31-39(4)15-26-54(48)60(56)45-22-11-37(2)12-23-45/h5-35H,1-4H3.
What are the key properties of 3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole?
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole has a molecular weight of 782.00 g/mol, XLogP of 15.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole is sourced from PubChem (CID 70866701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).