3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole

C52H34N4 — CID 90086331

IUPAC3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4cnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)nc4)c3)c2)cc1
InChIInChI=1S/C52H34N4/c1-3-13-35(14-4-1)36-15-11-16-37(29-36)38-17-12-18-39(30-38)42-33-53-52(54-34-42)56-49-24-10-8-22-45(49)47-32-41(26-28-51(47)56)40-25-27-50-46(31-40)44-21-7-9-23-48(44)55(50)43-19-5-2-6-20-43/h1-34H
InChIKeyWGNJHVKOHKIWPR-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.34
Rot. Bonds6

About 3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole (PubChem CID 90086331) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
PubChem CID90086331
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4cnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)nc4)c3)c2)cc1
InChIInChI=1S/C52H34N4/c1-3-13-35(14-4-1)36-15-11-16-37(29-36)38-17-12-18-39(30-38)42-33-53-52(54-34-42)56-49-24-10-8-22-45(49)47-32-41(26-28-51(47)56)40-25-27-50-46(31-40)44-21-7-9-23-48(44)55(50)43-19-5-2-6-20-43/h1-34H
InChIKeyWGNJHVKOHKIWPR-UHFFFAOYSA-N
XLogP13.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 158454964
5-phenyl-2-[3-[2-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-5-yl]phenyl]pyrido[3,2-b]indole
CID 90086351
5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole
CID 155139599
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3-[9-(4-phenoxyphenyl)carbazol-3-yl]-9-[5-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086423
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole
CID 164788234
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole (CID 90086331) is 3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole is c1ccc(-c2cccc(-c3cccc(-c4cnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)nc4)c3)c2)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
The InChIKey is WGNJHVKOHKIWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-13-35(14-4-1)36-15-11-16-37(29-36)38-17-12-18-39(30-38)42-33-53-52(54-34-42)56-49-24-10-8-22-45(49)47-32-41(26-28-51(47)56)40-25-27-50-46(31-40)44-21-7-9-23-48(44)55(50)43-19-5-2-6-20-43/h1-34H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole has a molecular weight of 714.87 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole is sourced from PubChem (CID 90086331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).