3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole

C55H39N3 — CID 163759437

IUPAC3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3n4-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C55H39N3/c1-55(2)47-23-13-12-21-43(47)44-31-27-41(34-48(44)55)40-28-32-51-46(33-40)53-45(22-14-24-52(53)58(51)42-29-25-37(26-30-42)36-15-6-3-7-16-36)50-35-49(38-17-8-4-9-18-38)56-54(57-50)39-19-10-5-11-20-39/h3-35H,1-2H3
InChIKeyLWXPOSANRUUUDJ-UHFFFAOYSA-N
MW741.94 g/mol
LogP14.22
Rot. Bonds6

About 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole

3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 163759437) has the molecular formula C55H39N3 and a molecular weight of 741.94 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole
PubChem CID163759437
Molecular FormulaC55H39N3
Molecular Weight741.94 g/mol
Exact Mass741.31
IUPAC Name3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3n4-c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C55H39N3/c1-55(2)47-23-13-12-21-43(47)44-31-27-41(34-48(44)55)40-28-32-51-46(33-40)53-45(22-14-24-52(53)58(51)42-29-25-37(26-30-42)36-15-6-3-7-16-36)50-35-49(38-17-8-4-9-18-38)56-54(57-50)39-19-10-5-11-20-39/h3-35H,1-2H3
InChIKeyLWXPOSANRUUUDJ-UHFFFAOYSA-N
XLogP14.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.94
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole
CID 145327908
3-(9,9-dimethylfluoren-3-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole;ethane
CID 145327566
5-[3-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265309
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 145327538
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
3-[9-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158207100
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
3-[9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole
CID 160991667
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;3-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)pyrimidin-4-yl]-9-phenylcarbazole;9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 159446739
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole (CID 163759437) is 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3n4-c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is LWXPOSANRUUUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N3/c1-55(2)47-23-13-12-21-43(47)44-31-27-41(34-48(44)55)40-28-32-51-46(33-40)53-45(22-14-24-52(53)58(51)42-29-25-37(26-30-42)36-15-6-3-7-16-36)50-35-49(38-17-8-4-9-18-38)56-54(57-50)39-19-10-5-11-20-39/h3-35H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole?
3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 741.94 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 163759437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).