4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline

C60H52N6 — CID 142088052

IUPAC4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-n2c3c(c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(N(C)C)cc7)ccc5n6-c5ccc(N(C)C)cc5)ccc42)=CCCC=3)cc1
InChIInChI=1S/C60H52N6/c1-61(2)43-19-25-46(26-20-43)64-55-13-9-7-11-49(55)51-35-39(15-31-57(51)64)41-17-33-59-53(37-41)54-38-42(18-34-60(54)66(59)48-29-23-45(24-30-48)63(5)6)40-16-32-58-52(36-40)50-12-8-10-14-56(50)65(58)47-27-21-44(22-28-47)62(3)4/h7,9,11-38H,8,10H2,1-6H3
InChIKeyLZJZITATVGCCRK-UHFFFAOYSA-N
MW857.12 g/mol
LogP12.71
Rot. Bonds8

About 4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline

4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline (PubChem CID 142088052) has the molecular formula C60H52N6 and a molecular weight of 857.12 g/mol. Its IUPAC name is 4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline
PubChem CID142088052
Molecular FormulaC60H52N6
Molecular Weight857.12 g/mol
Exact Mass856.43
IUPAC Name4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-n2c3c(c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(N(C)C)cc7)ccc5n6-c5ccc(N(C)C)cc5)ccc42)=CCCC=3)cc1
InChIInChI=1S/C60H52N6/c1-61(2)43-19-25-46(26-20-43)64-55-13-9-7-11-49(55)51-35-39(15-31-57(51)64)41-17-33-59-53(37-41)54-38-42(18-34-60(54)66(59)48-29-23-45(24-30-48)63(5)6)40-16-32-58-52(36-40)50-12-8-10-14-56(50)65(58)47-27-21-44(22-28-47)62(3)4/h7,9,11-38H,8,10H2,1-6H3
InChIKeyLZJZITATVGCCRK-UHFFFAOYSA-N
XLogP12.71
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.12
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-3-[4-(9-phenyl-6,7-dihydrocarbazol-3-yl)naphthalen-1-yl]carbazole
CID 146359318
9-phenyl-3-(9-phenyl-6,7-dihydrocarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 162698923
3-[9-(3-methylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 144943040
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
9-[3-[3-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]-5-[3-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 163995412
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837

Frequently Asked Questions

What is the IUPAC name of 4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline (CID 142088052) is 4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline is CN(C)c1ccc(-n2c3c(c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(N(C)C)cc7)ccc5n6-c5ccc(N(C)C)cc5)ccc42)=CCCC=3)cc1.
What is the InChIKey of 4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline?
The InChIKey is LZJZITATVGCCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N6/c1-61(2)43-19-25-46(26-20-43)64-55-13-9-7-11-49(55)51-35-39(15-31-57(51)64)41-17-33-59-53(37-41)54-38-42(18-34-60(54)66(59)48-29-23-45(24-30-48)63(5)6)40-16-32-58-52(36-40)50-12-8-10-14-56(50)65(58)47-27-21-44(22-28-47)62(3)4/h7,9,11-38H,8,10H2,1-6H3.
What are the key properties of 4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline?
4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline has a molecular weight of 857.12 g/mol, XLogP of 12.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[9-[4-(dimethylamino)phenyl]-6-[9-[4-(dimethylamino)phenyl]carbazol-3-yl]carbazol-3-yl]-2,3-dihydrocarbazol-9-yl]-N,N-dimethylaniline is sourced from PubChem (CID 142088052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).