2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole

C53H35N3 — CID 118318915

IUPAC2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc43)cc2)cc1
InChIInChI=1S/C53H35N3/c1-4-14-35(15-5-1)36-24-28-41(29-25-36)56-50-23-13-12-21-43(50)44-30-26-40(33-51(44)56)39-27-31-46-47(32-39)42-20-10-11-22-45(42)52(46)53-54-48(37-16-6-2-7-17-37)34-49(55-53)38-18-8-3-9-19-38/h1-34,52H
InChIKeyKBWORSQPBUVBDE-UHFFFAOYSA-N
MW713.88 g/mol
LogP13.40
Rot. Bonds6

About 2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole

2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 118318915) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID118318915
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc43)cc2)cc1
InChIInChI=1S/C53H35N3/c1-4-14-35(15-5-1)36-24-28-41(29-25-36)56-50-23-13-12-21-43(50)44-30-26-40(33-51(44)56)39-27-31-46-47(32-39)42-20-10-11-22-45(42)52(46)53-54-48(37-16-6-2-7-17-37)34-49(55-53)38-18-8-3-9-19-38/h1-34,52H
InChIKeyKBWORSQPBUVBDE-UHFFFAOYSA-N
XLogP13.40
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 ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118149449
7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenyl-7H-indeno[2,1-b]carbazole
CID 126753657
2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole
CID 58250678
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
9-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 121258076
9-[4-(9H-fluoren-9-yl)-3-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 162124636
9-[3-[4-(4-carbazol-9-ylphenyl)-6-[3-(9H-fluoren-9-yl)phenyl]-2-pyridinyl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole;9-[3-[3-[6-[3-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;9-[4-[3-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 161277059
2-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209077
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 161259366
9-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 130359579
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole (CID 118318915) is 2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)-c5ccccc5C6c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc43)cc2)cc1.
What is the InChIKey of 2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is KBWORSQPBUVBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-4-14-35(15-5-1)36-24-28-41(29-25-36)56-50-23-13-12-21-43(50)44-30-26-40(33-51(44)56)39-27-31-46-47(32-39)42-20-10-11-22-45(42)52(46)53-54-48(37-16-6-2-7-17-37)34-49(55-53)38-18-8-3-9-19-38/h1-34,52H.
What are the key properties of 2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole?
2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 713.88 g/mol, XLogP of 13.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 118318915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).