9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole

C50H34N4O — CID 71232754

IUPAC9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole
SMILESCn1c2ccccc2c2cc(-n3c4ccccc4c4cc(Oc5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5ccccc5n6C)ccc43)ccc21
InChIInChI=1S/C50H34N4O/c1-51-43-15-7-3-11-35(43)39-27-31(19-23-45(39)51)53-47-17-9-5-13-37(47)41-29-33(21-25-49(41)53)55-34-22-26-50-42(30-34)38-14-6-10-18-48(38)54(50)32-20-24-46-40(28-32)36-12-4-8-16-44(36)52(46)2/h3-30H,1-2H3
InChIKeyNNDWQZULNKCIHA-UHFFFAOYSA-N
MW706.85 g/mol
LogP12.96
Rot. Bonds4

About 9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole

9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole (PubChem CID 71232754) has the molecular formula C50H34N4O and a molecular weight of 706.85 g/mol. Its IUPAC name is 9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole
PubChem CID71232754
Molecular FormulaC50H34N4O
Molecular Weight706.85 g/mol
Exact Mass706.27
IUPAC Name9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole
SMILESCn1c2ccccc2c2cc(-n3c4ccccc4c4cc(Oc5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5ccccc5n6C)ccc43)ccc21
InChIInChI=1S/C50H34N4O/c1-51-43-15-7-3-11-35(43)39-27-31(19-23-45(39)51)53-47-17-9-5-13-37(47)41-29-33(21-25-49(41)53)55-34-22-26-50-42(30-34)38-14-6-10-18-48(38)54(50)32-20-24-46-40(28-32)36-12-4-8-16-44(36)52(46)2/h3-30H,1-2H3
InChIKeyNNDWQZULNKCIHA-UHFFFAOYSA-N
XLogP12.96
TPSA28.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole 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-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole
CID 71232662
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-methyl-3-[3-[2-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]propan-2-yl]carbazol-9-yl]carbazole
CID 71232688
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
5,19-di(carbazol-9-yl)-9-methyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16(21),17,19-decaene
CID 132542295
3-[9-[3-(9-methylcarbazol-2-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-yl]oxy-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
CID 89393750
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 157468532
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine
CID 160890732

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole?
The IUPAC name of 9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole (CID 71232754) is 9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole.
What is the SMILES notation for 9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole?
The canonical SMILES for 9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole is Cn1c2ccccc2c2cc(-n3c4ccccc4c4cc(Oc5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5ccccc5n6C)ccc43)ccc21.
What is the InChIKey of 9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole?
The InChIKey is NNDWQZULNKCIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4O/c1-51-43-15-7-3-11-35(43)39-27-31(19-23-45(39)51)53-47-17-9-5-13-37(47)41-29-33(21-25-49(41)53)55-34-22-26-50-42(30-34)38-14-6-10-18-48(38)54(50)32-20-24-46-40(28-32)36-12-4-8-16-44(36)52(46)2/h3-30H,1-2H3.
What are the key properties of 9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole?
9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole has a molecular weight of 706.85 g/mol, XLogP of 12.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole is sourced from PubChem (CID 71232754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).