bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole)

C180H116N20 — CID 165011773

IUPACbis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole)
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4ccncc43)cc(-n3c4ccccc4c4ccncc43)n2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4ccncc43)cc(-n3c4ccccc4c4ccncc43)n2)cc1
InChIInChI=1S/2C46H30N4.2C44H28N6/c2*1-3-16-31(17-4-1)33-24-15-25-34(32-18-5-2-6-19-32)45(33)46-47-43(49-39-26-11-7-20-35(39)36-21-8-12-27-40(36)49)30-44(48-46)50-41-28-13-9-22-37(41)38-23-10-14-29-42(38)50;2*1-3-12-29(13-4-1)31-18-11-19-32(30-14-5-2-6-15-30)43(31)44-47-41(49-37-20-9-7-16-33(37)35-22-24-45-27-39(35)49)26-42(48-44)50-38-21-10-8-17-34(38)36-23-25-46-28-40(36)50/h2*1-30H;2*1-28H
InChIKeyJUWVXZPYYYJSBN-UHFFFAOYSA-N
MW2559.05 g/mol
LogP44.27
Rot. Bonds20

About bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole)

bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole) (PubChem CID 165011773) has the molecular formula C180H116N20 and a molecular weight of 2559.05 g/mol. Its IUPAC name is bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole).

Molecular Properties

Compound Namebis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole)
PubChem CID165011773
Molecular FormulaC180H116N20
Molecular Weight2559.05 g/mol
Exact Mass2556.97
IUPAC Namebis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole)
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4ccncc43)cc(-n3c4ccccc4c4ccncc43)n2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4ccncc43)cc(-n3c4ccccc4c4ccncc43)n2)cc1
InChIInChI=1S/2C46H30N4.2C44H28N6/c2*1-3-16-31(17-4-1)33-24-15-25-34(32-18-5-2-6-19-32)45(33)46-47-43(49-39-26-11-7-20-35(39)36-21-8-12-27-40(36)49)30-44(48-46)50-41-28-13-9-22-37(41)38-23-10-14-29-42(38)50;2*1-3-12-29(13-4-1)31-18-11-19-32(30-14-5-2-6-15-30)43(31)44-47-41(49-37-20-9-7-16-33(37)35-22-24-45-27-39(35)49)26-42(48-44)50-38-21-10-8-17-34(38)36-23-25-46-28-40(36)50/h2*1-30H;2*1-28H
InChIKeyJUWVXZPYYYJSBN-UHFFFAOYSA-N
XLogP44.27
TPSA194.12 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002559.05
LogP ≤ 544.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole) 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

9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 171578671
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole
CID 151746168
9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
CID 59480497
9-[6-[6-(4-phenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480347
7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-2-phenyl-1,3-benzoxazole
CID 170681499
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole
CID 176765501
9-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221348
9-[6-[6-[6-(4-naphthalen-1-ylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480322
2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole
CID 171578340
4-[2,3,6-tris(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759204
9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[3,4-b]indole
CID 172500275
5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 134544928

Frequently Asked Questions

What is the IUPAC name of bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole)?
The IUPAC name of bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole) (CID 165011773) is bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole).
What is the SMILES notation for bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole)?
The canonical SMILES for bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole) is c1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4ccncc43)cc(-n3c4ccccc4c4ccncc43)n2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2nc(-n3c4ccccc4c4ccncc43)cc(-n3c4ccccc4c4ccncc43)n2)cc1.
What is the InChIKey of bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole)?
The InChIKey is JUWVXZPYYYJSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H30N4.2C44H28N6/c2*1-3-16-31(17-4-1)33-24-15-25-34(32-18-5-2-6-19-32)45(33)46-47-43(49-39-26-11-7-20-35(39)36-21-8-12-27-40(36)49)30-44(48-46)50-41-28-13-9-22-37(41)38-23-10-14-29-42(38)50;2*1-3-12-29(13-4-1)31-18-11-19-32(30-14-5-2-6-15-30)43(31)44-47-41(49-37-20-9-7-16-33(37)35-22-24-45-27-39(35)49)26-42(48-44)50-38-21-10-8-17-34(38)36-23-25-46-28-40(36)50/h2*1-30H;2*1-28H.
What are the key properties of bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole)?
bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole) has a molecular weight of 2559.05 g/mol, XLogP of 44.27, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9-[6-carbazol-9-yl-2-(2,6-diphenylphenyl)pyrimidin-4-yl]carbazole);bis(9-[2-(2,6-diphenylphenyl)-6-pyrido[3,4-b]indol-9-ylpyrimidin-4-yl]pyrido[3,4-b]indole) is sourced from PubChem (CID 165011773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).