2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide

C48H50N10O8 — CID 101065003

IUPAC2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide
SMILESCn1cc(NC(=O)c2ccc3c(c2)CCc2cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)N6CCOCC6)n(C)c5)n(C)c4)ccc2-3)cc1C(=O)Nc1cc(C(=O)N2CCOCC2)n(C)c1
InChIInChI=1S/C48H50N10O8/c1-53-25-33(21-39(53)45(61)51-35-23-41(55(3)27-35)47(63)57-11-15-65-16-12-57)49-43(59)31-7-9-37-29(19-31)5-6-30-20-32(8-10-38(30)37)44(60)50-34-22-40(54(2)26-34)46(62)52-36-24-42(56(4)28-36)48(64)58-13-17-66-18-14-58/h7-10,19-28H,5-6,11-18H2,1-4H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)
InChIKeyDLKKPOUOKMGQBJ-UHFFFAOYSA-N
MW894.99 g/mol
LogP4.76
Rot. Bonds10

About 2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide

2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide (PubChem CID 101065003) has the molecular formula C48H50N10O8 and a molecular weight of 894.99 g/mol. Its IUPAC name is 2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide.

Molecular Properties

Compound Name2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide
PubChem CID101065003
Molecular FormulaC48H50N10O8
Molecular Weight894.99 g/mol
Exact Mass894.38
IUPAC Name2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide
SMILESCn1cc(NC(=O)c2ccc3c(c2)CCc2cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)N6CCOCC6)n(C)c5)n(C)c4)ccc2-3)cc1C(=O)Nc1cc(C(=O)N2CCOCC2)n(C)c1
InChIInChI=1S/C48H50N10O8/c1-53-25-33(21-39(53)45(61)51-35-23-41(55(3)27-35)47(63)57-11-15-65-16-12-57)49-43(59)31-7-9-37-29(19-31)5-6-30-20-32(8-10-38(30)37)44(60)50-34-22-40(54(2)26-34)46(62)52-36-24-42(56(4)28-36)48(64)58-13-17-66-18-14-58/h7-10,19-28H,5-6,11-18H2,1-4H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)
InChIKeyDLKKPOUOKMGQBJ-UHFFFAOYSA-N
XLogP4.76
TPSA195.20 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.99
LogP ≤ 54.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide with MolForge

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Related Compounds

Mgb-bp-3
CID 23730143
1-methyl-N-[1-methyl-5-(2-morpholinoethylcarbamoyl)pyrrol-3-yl]-4-[[4-[(E)-2-(4-pyridyl)vinyl]benzoyl]amino]pyrrole-2-carboxamide
CID 23730503
6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-3-carboxamide
CID 127045744
4-[[4-[(E)-2-(2,1,3-benzothiadiazol-5-yl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide
CID 127047023
1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzoyl]amino]pyrrole-2-carboxamide
CID 127047435
N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]isoquinoline-3-carboxamide
CID 10886888
1-methyl-N-[5-(2-morpholin-4-ylethylcarbamoyl)-1-propan-2-ylpyrrol-3-yl]-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carboxamide
CID 56839169
1-methyl-N-(2-morpholin-4-ylethyl)-4-[[1-propan-2-yl-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide
CID 56839170
4-[[1-butan-2-yl-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carbonyl]amino]-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 56839380
1-methyl-N-(2-morpholin-4-ylethyl)-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carboxamide
CID 102228510
4-[[4-[(E)-2-(4-fluorophenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide
CID 127046159
4-[[4-[(E)-2-(3-fluorophenyl)ethenyl]benzoyl]amino]-1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide
CID 127047022

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide?
The IUPAC name of 2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide (CID 101065003) is 2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide.
What is the SMILES notation for 2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide?
The canonical SMILES for 2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide is Cn1cc(NC(=O)c2ccc3c(c2)CCc2cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)N6CCOCC6)n(C)c5)n(C)c4)ccc2-3)cc1C(=O)Nc1cc(C(=O)N2CCOCC2)n(C)c1.
What is the InChIKey of 2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide?
The InChIKey is DLKKPOUOKMGQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50N10O8/c1-53-25-33(21-39(53)45(61)51-35-23-41(55(3)27-35)47(63)57-11-15-65-16-12-57)49-43(59)31-7-9-37-29(19-31)5-6-30-20-32(8-10-38(30)37)44(60)50-34-22-40(54(2)26-34)46(62)52-36-24-42(56(4)28-36)48(64)58-13-17-66-18-14-58/h7-10,19-28H,5-6,11-18H2,1-4H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62).
What are the key properties of 2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide?
2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide has a molecular weight of 894.99 g/mol, XLogP of 4.76, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis[1-methyl-5-[[1-methyl-5-(morpholine-4-carbonyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-9,10-dihydrophenanthrene-2,7-dicarboxamide is sourced from PubChem (CID 101065003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).