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

C58H39N3 — CID 155203330

IUPAC2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-n6c7ccccc7c7c(-c8ccccc8)cc(-c8ccccc8)cc76)c5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C58H39N3/c1-5-16-40(17-6-1)42-28-32-45(33-29-42)53-39-54(60-58(59-53)47-22-11-4-12-23-47)46-34-30-43(31-35-46)48-24-15-25-50(36-48)61-55-27-14-13-26-51(55)57-52(44-20-9-3-10-21-44)37-49(38-56(57)61)41-18-7-2-8-19-41/h1-39H
InChIKeyYYOBBASAKKIPQI-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.24
Rot. Bonds8

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

2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole (PubChem CID 155203330) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is 2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
PubChem CID155203330
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC Name2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-n6c7ccccc7c7c(-c8ccccc8)cc(-c8ccccc8)cc76)c5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C58H39N3/c1-5-16-40(17-6-1)42-28-32-45(33-29-42)53-39-54(60-58(59-53)47-22-11-4-12-23-47)46-34-30-43(31-35-46)48-24-15-25-50(36-48)61-55-27-14-13-26-51(55)57-52(44-20-9-3-10-21-44)37-49(38-56(57)61)41-18-7-2-8-19-41/h1-39H
InChIKeyYYOBBASAKKIPQI-UHFFFAOYSA-N
XLogP15.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087478
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole
CID 170539165
2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135144091
9-(3-phenylphenyl)-2-[3-[4-[2-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-(3-phenylphenyl)-2-[3-[4-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-(3-phenylphenyl)-2-[3-[4-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159653116
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
9-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
CID 58971549
2-(2-phenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135143807
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401
9-[3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 121258073
9-[3-[4-[2-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159741626
4-phenyl-2-(3-phenylphenyl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170539134
9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;9-[3-[2-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161143543

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole?
The IUPAC name of 2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole (CID 155203330) is 2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-n6c7ccccc7c7c(-c8ccccc8)cc(-c8ccccc8)cc76)c5)cc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole?
The InChIKey is YYOBBASAKKIPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-5-16-40(17-6-1)42-28-32-45(33-29-42)53-39-54(60-58(59-53)47-22-11-4-12-23-47)46-34-30-43(31-35-46)48-24-15-25-50(36-48)61-55-27-14-13-26-51(55)57-52(44-20-9-3-10-21-44)37-49(38-56(57)61)41-18-7-2-8-19-41/h1-39H.
What are the key properties of 2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole?
2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole has a molecular weight of 777.97 g/mol, XLogP of 15.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 155203330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).