3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole

C53H35N3 — CID 154618893

IUPAC3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4C5)c3)n2)cc1
InChIInChI=1S/C53H35N3/c1-4-14-35(15-5-1)48-34-49(36-16-6-2-7-17-36)55-53(54-48)42-20-12-18-39(31-42)44-24-13-19-41-30-40-27-26-37(32-46(40)52(41)44)38-28-29-51-47(33-38)45-23-10-11-25-50(45)56(51)43-21-8-3-9-22-43/h1-29,31-34H,30H2
InChIKeyCOYZYTNQXFHAJQ-UHFFFAOYSA-N
MW713.88 g/mol
LogP13.48
Rot. Bonds6

About 3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole

3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole (PubChem CID 154618893) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
PubChem CID154618893
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4C5)c3)n2)cc1
InChIInChI=1S/C53H35N3/c1-4-14-35(15-5-1)48-34-49(36-16-6-2-7-17-36)55-53(54-48)42-20-12-18-39(31-42)44-24-13-19-41-30-40-27-26-37(32-46(40)52(41)44)38-28-29-51-47(33-38)45-23-10-11-25-50(45)56(51)43-21-8-3-9-22-43/h1-29,31-34H,30H2
InChIKeyCOYZYTNQXFHAJQ-UHFFFAOYSA-N
XLogP13.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
CID 154618882
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole
CID 158375746
3-(9H-fluoren-4-yl)-9-[3-[4-[3-[3-(9H-fluoren-4-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162137186
3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130230877
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
3-[2,5-diphenyl-3-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 177079001
3-[9-[3-[4-(2,6-diphenylphenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236907
9-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 138731899
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole (CID 154618893) is 3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4C5)c3)n2)cc1.
What is the InChIKey of 3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole?
The InChIKey is COYZYTNQXFHAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-4-14-35(15-5-1)48-34-49(36-16-6-2-7-17-36)55-53(54-48)42-20-12-18-39(31-42)44-24-13-19-41-30-40-27-26-37(32-46(40)52(41)44)38-28-29-51-47(33-38)45-23-10-11-25-50(45)56(51)43-21-8-3-9-22-43/h1-29,31-34H,30H2.
What are the key properties of 3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole?
3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole has a molecular weight of 713.88 g/mol, XLogP of 13.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 154618893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).