9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole

C70H59N3 — CID 59742251

IUPAC9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole
SMILESCCC(CC(CC(C)n1c2ccccc2c2ccccc21)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2)cc1
InChIInChI=1S/C70H59N3/c1-5-49(50-24-26-51(27-25-50)53-34-38-58(39-35-53)73-69-40-22-46(2)42-63(69)64-43-47(3)23-41-70(64)73)45-56(44-48(4)71-65-18-10-6-14-59(65)60-15-7-11-19-66(60)71)55-30-28-52(29-31-55)54-32-36-57(37-33-54)72-67-20-12-8-16-61(67)62-17-9-13-21-68(62)72/h6-43,48-49,56H,5,44-45H2,1-4H3
InChIKeyJRAYWTIWWAOTSH-UHFFFAOYSA-N
MW942.26 g/mol
LogP19.26
Rot. Bonds12

About 9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole

9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole (PubChem CID 59742251) has the molecular formula C70H59N3 and a molecular weight of 942.26 g/mol. Its IUPAC name is 9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole
PubChem CID59742251
Molecular FormulaC70H59N3
Molecular Weight942.26 g/mol
Exact Mass941.47
IUPAC Name9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole
SMILESCCC(CC(CC(C)n1c2ccccc2c2ccccc21)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2)cc1
InChIInChI=1S/C70H59N3/c1-5-49(50-24-26-51(27-25-50)53-34-38-58(39-35-53)73-69-40-22-46(2)42-63(69)64-43-47(3)23-41-70(64)73)45-56(44-48(4)71-65-18-10-6-14-59(65)60-15-7-11-19-66(60)71)55-30-28-52(29-31-55)54-32-36-57(37-33-54)72-67-20-12-8-16-61(67)62-17-9-13-21-68(62)72/h6-43,48-49,56H,5,44-45H2,1-4H3
InChIKeyJRAYWTIWWAOTSH-UHFFFAOYSA-N
XLogP19.26
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.26
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[3-[4-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-9-carbazol-9-yl-7-[4-(4-carbazol-9-ylphenyl)phenyl]decan-5-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59742274
N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline
CID 59742237
9-[4-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]hexan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[3-(4-ethenylphenyl)phenyl]carbazole;N-[4-(4-ethenylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
CID 158926363
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
2-[4-[4-(5-carbazol-9-ylhexan-3-yl)phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;methane
CID 162059761
N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
CID 159506351
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
4-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 155614212
2-[4-[4-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]hexan-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;methane
CID 157441624
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-carbazol-9-yl-9-[4-[4-(3-methylphenyl)phenyl]phenyl]carbazole
CID 170198467
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole (CID 59742251) is 9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole is CCC(CC(CC(C)n1c2ccccc2c2ccccc21)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2)cc1.
What is the InChIKey of 9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole?
The InChIKey is JRAYWTIWWAOTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H59N3/c1-5-49(50-24-26-51(27-25-50)53-34-38-58(39-35-53)73-69-40-22-46(2)42-63(69)64-43-47(3)23-41-70(64)73)45-56(44-48(4)71-65-18-10-6-14-59(65)60-15-7-11-19-66(60)71)55-30-28-52(29-31-55)54-32-36-57(37-33-54)72-67-20-12-8-16-61(67)62-17-9-13-21-68(62)72/h6-43,48-49,56H,5,44-45H2,1-4H3.
What are the key properties of 9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole?
9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole has a molecular weight of 942.26 g/mol, XLogP of 19.26, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[7-carbazol-9-yl-5-[4-(4-carbazol-9-ylphenyl)phenyl]octan-3-yl]phenyl]phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 59742251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).