3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole

C99H61N9 — CID 175978291

IUPAC3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ncc4-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C99H61N9/c1-3-24-62(25-4-1)83-60-84(102-99(101-83)63-26-5-2-6-27-63)65-29-23-28-64(54-65)78-59-98(108-95-52-48-68(105-89-42-19-11-34-74(89)75-35-12-20-43-90(75)105)57-81(95)82-58-69(49-53-96(82)108)106-91-44-21-13-36-76(91)77-37-14-22-45-92(77)106)100-61-97(78)107-93-50-46-66(103-85-38-15-7-30-70(85)71-31-8-16-39-86(71)103)55-79(93)80-56-67(47-51-94(80)107)104-87-40-17-9-32-72(87)73-33-10-18-41-88(73)104/h1-61H
InChIKeyLOAZOEVUYJTQFD-UHFFFAOYSA-N
MW1376.64 g/mol
LogP25.12
Rot. Bonds10

About 3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole

3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole (PubChem CID 175978291) has the molecular formula C99H61N9 and a molecular weight of 1376.64 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole
PubChem CID175978291
Molecular FormulaC99H61N9
Molecular Weight1376.64 g/mol
Exact Mass1375.50
IUPAC Name3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ncc4-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C99H61N9/c1-3-24-62(25-4-1)83-60-84(102-99(101-83)63-26-5-2-6-27-63)65-29-23-28-64(54-65)78-59-98(108-95-52-48-68(105-89-42-19-11-34-74(89)75-35-12-20-43-90(75)105)57-81(95)82-58-69(49-53-96(82)108)106-91-44-21-13-36-76(91)77-37-14-22-45-92(77)106)100-61-97(78)107-93-50-46-66(103-85-38-15-7-30-70(85)71-31-8-16-39-86(71)103)55-79(93)80-56-67(47-51-94(80)107)104-87-40-17-9-32-72(87)73-33-10-18-41-88(73)104/h1-61H
InChIKeyLOAZOEVUYJTQFD-UHFFFAOYSA-N
XLogP25.12
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001376.64
LogP ≤ 525.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]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-[2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544320
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759243
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155463257
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421093
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[2,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159913359
9-[2-[6-(3-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[2-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165057661
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 158582590
2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546475
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 164822819
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 159465989
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,5-dimethylphenyl]carbazole
CID 126730426

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole (CID 175978291) is 3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole is c1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ncc4-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole?
The InChIKey is LOAZOEVUYJTQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H61N9/c1-3-24-62(25-4-1)83-60-84(102-99(101-83)63-26-5-2-6-27-63)65-29-23-28-64(54-65)78-59-98(108-95-52-48-68(105-89-42-19-11-34-74(89)75-35-12-20-43-90(75)105)57-81(95)82-58-69(49-53-96(82)108)106-91-44-21-13-36-76(91)77-37-14-22-45-92(77)106)100-61-97(78)107-93-50-46-66(103-85-38-15-7-30-70(85)71-31-8-16-39-86(71)103)55-79(93)80-56-67(47-51-94(80)107)104-87-40-17-9-32-72(87)73-33-10-18-41-88(73)104/h1-61H.
What are the key properties of 3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole?
3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole has a molecular weight of 1376.64 g/mol, XLogP of 25.12, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-9-[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 175978291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).