1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one

C56H48N2O2 — CID 172517168

IUPAC1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(N5CCCC5=O)c(-c5cccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)cc4N4CCCC4=O)c3)cc21
InChIInChI=1S/C56H48N2O2/c1-55(2)47-19-7-5-17-41(47)43-25-23-37(31-49(43)55)35-13-9-15-39(29-35)45-33-52(58-28-12-22-54(58)60)46(34-51(45)57-27-11-21-53(57)59)40-16-10-14-36(30-40)38-24-26-44-42-18-6-8-20-48(42)56(3,4)50(44)32-38/h5-10,13-20,23-26,29-34H,11-12,21-22,27-28H2,1-4H3
InChIKeyXMAJVETVRGRIGW-UHFFFAOYSA-N
MW781.01 g/mol
LogP13.22
Rot. Bonds6

About 1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one

1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one (PubChem CID 172517168) has the molecular formula C56H48N2O2 and a molecular weight of 781.01 g/mol. Its IUPAC name is 1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
PubChem CID172517168
Molecular FormulaC56H48N2O2
Molecular Weight781.01 g/mol
Exact Mass780.37
IUPAC Name1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(N5CCCC5=O)c(-c5cccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)cc4N4CCCC4=O)c3)cc21
InChIInChI=1S/C56H48N2O2/c1-55(2)47-19-7-5-17-41(47)43-25-23-37(31-49(43)55)35-13-9-15-39(29-35)45-33-52(58-28-12-22-54(58)60)46(34-51(45)57-27-11-21-53(57)59)40-16-10-14-36(30-40)38-24-26-44-42-18-6-8-20-48(42)56(3,4)50(44)32-38/h5-10,13-20,23-26,29-34H,11-12,21-22,27-28H2,1-4H3
InChIKeyXMAJVETVRGRIGW-UHFFFAOYSA-N
XLogP13.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.01
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
CID 140720702
CID 140720702
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one (CID 172517168) is 1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cc(N5CCCC5=O)c(-c5cccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5)cc4N4CCCC4=O)c3)cc21.
What is the InChIKey of 1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
The InChIKey is XMAJVETVRGRIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N2O2/c1-55(2)47-19-7-5-17-41(47)43-25-23-37(31-49(43)55)35-13-9-15-39(29-35)45-33-52(58-28-12-22-54(58)60)46(34-51(45)57-27-11-21-53(57)59)40-16-10-14-36(30-40)38-24-26-44-42-18-6-8-20-48(42)56(3,4)50(44)32-38/h5-10,13-20,23-26,29-34H,11-12,21-22,27-28H2,1-4H3.
What are the key properties of 1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one?
1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one has a molecular weight of 781.01 g/mol, XLogP of 13.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 172517168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).