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

C98H62N8 — CID 155380099

IUPAC3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)cc(-n8c9ccccc9c9ccccc98)c7)ccc65)c4)n3)c2)cc1
InChIInChI=1S/C98H62N8/c1-5-26-63(27-6-1)67-34-25-35-70(52-67)88-62-87(66-32-11-4-12-33-66)101-98(102-88)72-54-74(104-91-44-21-15-38-79(91)80-39-16-22-45-92(80)104)60-76(56-72)106-94-47-24-18-41-82(94)84-58-69(49-51-96(84)106)68-48-50-95-83(57-68)81-40-17-23-46-93(81)105(95)75-55-71(53-73(59-75)103-89-42-19-13-36-77(89)78-37-14-20-43-90(78)103)97-99-85(64-28-7-2-8-29-64)61-86(100-97)65-30-9-3-10-31-65/h1-62H
InChIKeyYQZAPJIIQDNIMH-UHFFFAOYSA-N
MW1351.63 g/mol
LogP24.99
Rot. Bonds12

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

3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole (PubChem CID 155380099) has the molecular formula C98H62N8 and a molecular weight of 1351.63 g/mol. Its IUPAC name is 3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
PubChem CID155380099
Molecular FormulaC98H62N8
Molecular Weight1351.63 g/mol
Exact Mass1350.51
IUPAC Name3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)cc(-n8c9ccccc9c9ccccc98)c7)ccc65)c4)n3)c2)cc1
InChIInChI=1S/C98H62N8/c1-5-26-63(27-6-1)67-34-25-35-70(52-67)88-62-87(66-32-11-4-12-33-66)101-98(102-88)72-54-74(104-91-44-21-15-38-79(91)80-39-16-22-45-92(80)104)60-76(56-72)106-94-47-24-18-41-82(94)84-58-69(49-51-96(84)106)68-48-50-95-83(57-68)81-40-17-23-46-93(81)105(95)75-55-71(53-73(59-75)103-89-42-19-13-36-77(89)78-37-14-20-43-90(78)103)97-99-85(64-28-7-2-8-29-64)61-86(100-97)65-30-9-3-10-31-65/h1-62H
InChIKeyYQZAPJIIQDNIMH-UHFFFAOYSA-N
XLogP24.99
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.63
LogP ≤ 524.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921
3-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209021
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole
CID 150934071
3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 157469186
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]carbazole;9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 163832529
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 161004929
9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole
CID 152615807
9-[3-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 88530509
3-[9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 145309043
3-[9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 159401560
3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134237073

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole?
The IUPAC name of 3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole (CID 155380099) is 3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole?
The canonical SMILES for 3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)cc(-n8c9ccccc9c9ccccc98)c7)ccc65)c4)n3)c2)cc1.
What is the InChIKey of 3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole?
The InChIKey is YQZAPJIIQDNIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H62N8/c1-5-26-63(27-6-1)67-34-25-35-70(52-67)88-62-87(66-32-11-4-12-33-66)101-98(102-88)72-54-74(104-91-44-21-15-38-79(91)80-39-16-22-45-92(80)104)60-76(56-72)106-94-47-24-18-41-82(94)84-58-69(49-51-96(84)106)68-48-50-95-83(57-68)81-40-17-23-46-93(81)105(95)75-55-71(53-73(59-75)103-89-42-19-13-36-77(89)78-37-14-20-43-90(78)103)97-99-85(64-28-7-2-8-29-64)61-86(100-97)65-30-9-3-10-31-65/h1-62H.
What are the key properties of 3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole?
3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole has a molecular weight of 1351.63 g/mol, XLogP of 24.99, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole is sourced from PubChem (CID 155380099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).