1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione

C76H71FN6O4 — CID 163660271

IUPAC1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione
SMILESCC(=O)c1c(C)[nH]c(C(c2ccccc2)c2ccc(C(c3[nH]c(C)c(C(=O)CCC(=O)c4c(C)[nH]c(C(c5ccc(F)cc5)c5ccc(C(c6[nH]c(C)c(C(C)=O)c6C)c6cccc7ccccc67)[nH]5)c4C)c3C)c3cccc4ccccc34)[nH]2)c1C
InChIInChI=1S/C76H71FN6O4/c1-40-65(48(9)84)44(5)78-73(40)69(52-22-12-11-13-23-52)59-34-36-62(82-59)72(58-29-19-25-51-21-15-17-27-56(51)58)76-43(4)68(47(8)81-76)64(87)39-38-63(86)67-42(3)74(80-46(67)7)70(53-30-32-54(77)33-31-53)60-35-37-61(83-60)71(75-41(2)66(49(10)85)45(6)79-75)57-28-18-24-50-20-14-16-26-55(50)57/h11-37,69-72,78-83H,38-39H2,1-10H3
InChIKeyITUJFXQIBYIWTN-UHFFFAOYSA-N
MW1151.44 g/mol
LogP17.54
Rot. Bonds19

About 1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione

1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione (PubChem CID 163660271) has the molecular formula C76H71FN6O4 and a molecular weight of 1151.44 g/mol. Its IUPAC name is 1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione
PubChem CID163660271
Molecular FormulaC76H71FN6O4
Molecular Weight1151.44 g/mol
Exact Mass1150.55
IUPAC Name1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione
SMILESCC(=O)c1c(C)[nH]c(C(c2ccccc2)c2ccc(C(c3[nH]c(C)c(C(=O)CCC(=O)c4c(C)[nH]c(C(c5ccc(F)cc5)c5ccc(C(c6[nH]c(C)c(C(C)=O)c6C)c6cccc7ccccc67)[nH]5)c4C)c3C)c3cccc4ccccc34)[nH]2)c1C
InChIInChI=1S/C76H71FN6O4/c1-40-65(48(9)84)44(5)78-73(40)69(52-22-12-11-13-23-52)59-34-36-62(82-59)72(58-29-19-25-51-21-15-17-27-56(51)58)76-43(4)68(47(8)81-76)64(87)39-38-63(86)67-42(3)74(80-46(67)7)70(53-30-32-54(77)33-31-53)60-35-37-61(83-60)71(75-41(2)66(49(10)85)45(6)79-75)57-28-18-24-50-20-14-16-26-55(50)57/h11-37,69-72,78-83H,38-39H2,1-10H3
InChIKeyITUJFXQIBYIWTN-UHFFFAOYSA-N
XLogP17.54
TPSA163.02 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001151.44
LogP ≤ 517.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Analyze 1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione with MolForge

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Related Compounds

Vat Green 8
CID 16167712
1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 71678191
1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 71678874
1-[5-[(4-fluorophenyl)-[5-[(4-fluorophenyl)-(5-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 71679042
1-[5-[[5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 71679043
1-[5-[[5-[[5-[2-[3-acetyl-5-[[5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-4-methyl-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 123180968
1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(1-benzothiophen-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione
CID 123490082
2-[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-fluorophenyl)methyl]-1H-pyrrol-3-yl]-1-[5-[[5-[2-[3-acetyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-fluorophenyl)methyl]-4-methyl-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 123712840
1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione
CID 123759849
2,2,2-Trifluoro-1-(5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2-yl)ethanone
CID 136090712
2,2,2-Trifluoro-1-(5,10,15,20-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethanone
CID 136161275
2,2,2-Trifluoro-1-(3,5,7,8-tetraphenyl-21,23-dihydroporphyrin-2-yl)ethanone
CID 136335302

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione?
The IUPAC name of 1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione (CID 163660271) is 1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione.
What is the SMILES notation for 1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione?
The canonical SMILES for 1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione is CC(=O)c1c(C)[nH]c(C(c2ccccc2)c2ccc(C(c3[nH]c(C)c(C(=O)CCC(=O)c4c(C)[nH]c(C(c5ccc(F)cc5)c5ccc(C(c6[nH]c(C)c(C(C)=O)c6C)c6cccc7ccccc67)[nH]5)c4C)c3C)c3cccc4ccccc34)[nH]2)c1C.
What is the InChIKey of 1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione?
The InChIKey is ITUJFXQIBYIWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H71FN6O4/c1-40-65(48(9)84)44(5)78-73(40)69(52-22-12-11-13-23-52)59-34-36-62(82-59)72(58-29-19-25-51-21-15-17-27-56(51)58)76-43(4)68(47(8)81-76)64(87)39-38-63(86)67-42(3)74(80-46(67)7)70(53-30-32-54(77)33-31-53)60-35-37-61(83-60)71(75-41(2)66(49(10)85)45(6)79-75)57-28-18-24-50-20-14-16-26-55(50)57/h11-37,69-72,78-83H,38-39H2,1-10H3.
What are the key properties of 1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione?
1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione has a molecular weight of 1151.44 g/mol, XLogP of 17.54, 19 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-naphthalen-1-ylmethyl]-1H-pyrrol-2-yl]-(4-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-4-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-1H-pyrrol-2-yl]-naphthalen-1-ylmethyl]-2,4-dimethyl-1H-pyrrol-3-yl]butane-1,4-dione is sourced from PubChem (CID 163660271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).