bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole)

C256H232N12 — CID 159506518

IUPACbis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/8C18H13N.4C13H11N.2C12H10.2C10H8.8C2H6/c8*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;4*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10-8-4-3-7-9(10)5-1;8*1-2/h8*1-13H;4*2-9H,1H3;2*1-10H;2*1-8H;8*1-2H3
InChIKeyMABDKQWRVDLVDK-UHFFFAOYSA-N
MW3476.76 g/mol
LogP72.19
Rot. Bonds10

About bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole)

bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole) (PubChem CID 159506518) has the molecular formula C256H232N12 and a molecular weight of 3476.76 g/mol. Its IUPAC name is bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole).

Molecular Properties

Compound Namebis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole)
PubChem CID159506518
Molecular FormulaC256H232N12
Molecular Weight3476.76 g/mol
Exact Mass3473.85
IUPAC Namebis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/8C18H13N.4C13H11N.2C12H10.2C10H8.8C2H6/c8*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;4*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10-8-4-3-7-9(10)5-1;8*1-2/h8*1-13H;4*2-9H,1H3;2*1-10H;2*1-8H;8*1-2H3
InChIKeyMABDKQWRVDLVDK-UHFFFAOYSA-N
XLogP72.19
TPSA59.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003476.76
LogP ≤ 572.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole) 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

ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane;9-methylcarbazole
CID 160749853
5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 138662748
7-methyl-10-[9-(4-phenylphenyl)carbazol-3-yl]benzo[c]carbazole
CID 138662741
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
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-phenylcarbazol-9-yl)carbazole
CID 118137351
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204

Frequently Asked Questions

What is the IUPAC name of bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole)?
The IUPAC name of bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole) (CID 159506518) is bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole).
What is the SMILES notation for bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole)?
The canonical SMILES for bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole) is CC.CC.CC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole)?
The InChIKey is MABDKQWRVDLVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/8C18H13N.4C13H11N.2C12H10.2C10H8.8C2H6/c8*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;4*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10-8-4-3-7-9(10)5-1;8*1-2/h8*1-13H;4*2-9H,1H3;2*1-10H;2*1-8H;8*1-2H3.
What are the key properties of bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole)?
bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole) has a molecular weight of 3476.76 g/mol, XLogP of 72.19, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole) is sourced from PubChem (CID 159506518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).