9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C185H117N19 — CID 159640112

IUPAC9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C100H63N11.C85H54N8/c1-7-29-64(30-8-1)85-63-86(65-31-9-2-10-32-65)102-100(101-85)74-61-81(70-41-27-43-75(57-70)109-87-49-23-19-45-77(87)78-46-20-24-50-88(78)109)93(82(62-74)71-42-28-44-76(58-71)110-89-51-25-21-47-79(89)80-48-22-26-52-90(80)110)111-91-55-53-72(98-105-94(66-33-11-3-12-34-66)103-95(106-98)67-35-13-4-14-36-67)59-83(91)84-60-73(54-56-92(84)111)99-107-96(68-37-15-5-16-38-68)104-97(108-99)69-39-17-6-18-40-69;1-5-25-55(26-6-1)73-54-74(56-27-7-2-8-28-56)87-85(86-73)62-52-70(59-33-23-35-63(49-59)91-75-42-18-13-37-65(75)66-38-14-19-43-76(66)91)81(71(53-62)60-34-24-36-64(50-60)92-77-44-20-15-39-67(77)68-40-16-21-45-78(68)92)93-79-46-22-17-41-69(79)72-51-61(47-48-80(72)93)84-89-82(57-29-9-3-10-30-57)88-83(90-84)58-31-11-4-12-32-58/h1-63H;1-54H
InChIKeyMQFZBFZYRZTZGM-UHFFFAOYSA-N
MW2606.10 g/mol
LogP45.76
Rot. Bonds25

About 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 159640112) has the molecular formula C185H117N19 and a molecular weight of 2606.10 g/mol. Its IUPAC name is 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID159640112
Molecular FormulaC185H117N19
Molecular Weight2606.10 g/mol
Exact Mass2603.97
IUPAC Name9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C100H63N11.C85H54N8/c1-7-29-64(30-8-1)85-63-86(65-31-9-2-10-32-65)102-100(101-85)74-61-81(70-41-27-43-75(57-70)109-87-49-23-19-45-77(87)78-46-20-24-50-88(78)109)93(82(62-74)71-42-28-44-76(58-71)110-89-51-25-21-47-79(89)80-48-22-26-52-90(80)110)111-91-55-53-72(98-105-94(66-33-11-3-12-34-66)103-95(106-98)67-35-13-4-14-36-67)59-83(91)84-60-73(54-56-92(84)111)99-107-96(68-37-15-5-16-38-68)104-97(108-99)69-39-17-6-18-40-69;1-5-25-55(26-6-1)73-54-74(56-27-7-2-8-28-56)87-85(86-73)62-52-70(59-33-23-35-63(49-59)91-75-42-18-13-37-65(75)66-38-14-19-43-76(66)91)81(71(53-62)60-34-24-36-64(50-60)92-77-44-20-15-39-67(77)68-40-16-21-45-78(68)92)93-79-46-22-17-41-69(79)72-51-61(47-48-80(72)93)84-89-82(57-29-9-3-10-30-57)88-83(90-84)58-31-11-4-12-32-58/h1-63H;1-54H
InChIKeyMQFZBFZYRZTZGM-UHFFFAOYSA-N
XLogP45.76
TPSA197.15 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002606.10
LogP ≤ 545.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-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

9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159949401
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-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole
CID 158632518
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 158582590
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280522
2-[9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 166786384
2-[9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 166786478
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 166786535
2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280524
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole
CID 159670250
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-isocyanophenyl)carbazole
CID 162160384
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

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 159640112) is 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)n2)cc1.
What is the InChIKey of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is MQFZBFZYRZTZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H63N11.C85H54N8/c1-7-29-64(30-8-1)85-63-86(65-31-9-2-10-32-65)102-100(101-85)74-61-81(70-41-27-43-75(57-70)109-87-49-23-19-45-77(87)78-46-20-24-50-88(78)109)93(82(62-74)71-42-28-44-76(58-71)110-89-51-25-21-47-79(89)80-48-22-26-52-90(80)110)111-91-55-53-72(98-105-94(66-33-11-3-12-34-66)103-95(106-98)67-35-13-4-14-36-67)59-83(91)84-60-73(54-56-92(84)111)99-107-96(68-37-15-5-16-38-68)104-97(108-99)69-39-17-6-18-40-69;1-5-25-55(26-6-1)73-54-74(56-27-7-2-8-28-56)87-85(86-73)62-52-70(59-33-23-35-63(49-59)91-75-42-18-13-37-65(75)66-38-14-19-43-76(66)91)81(71(53-62)60-34-24-36-64(50-60)92-77-44-20-15-39-67(77)68-40-16-21-45-78(68)92)93-79-46-22-17-41-69(79)72-51-61(47-48-80(72)93)84-89-82(57-29-9-3-10-30-57)88-83(90-84)58-31-11-4-12-32-58/h1-63H;1-54H.
What are the key properties of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 2606.10 g/mol, XLogP of 45.76, 25 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 159640112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).