2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione

C30H24N2O5 — CID 46933903

IUPAC2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione
SMILESCOc1cc(-c2cc3c(c4[nH]c5ccccc5c24)C(=O)N(Cc2ccccc2)C3=O)cc(OC)c1OC
InChIInChI=1S/C30H24N2O5/c1-35-23-13-18(14-24(36-2)28(23)37-3)20-15-21-26(27-25(20)19-11-7-8-12-22(19)31-27)30(34)32(29(21)33)16-17-9-5-4-6-10-17/h4-15,31H,16H2,1-3H3
InChIKeySJGOTPFYMWXPML-UHFFFAOYSA-N
MW492.53 g/mol
LogP5.81
Rot. Bonds6

About 2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione

2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione (PubChem CID 46933903) has the molecular formula C30H24N2O5 and a molecular weight of 492.53 g/mol. Its IUPAC name is 2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione.

Molecular Properties

Compound Name2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione
PubChem CID46933903
Molecular FormulaC30H24N2O5
Molecular Weight492.53 g/mol
Exact Mass492.17
IUPAC Name2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione
SMILESCOc1cc(-c2cc3c(c4[nH]c5ccccc5c24)C(=O)N(Cc2ccccc2)C3=O)cc(OC)c1OC
InChIInChI=1S/C30H24N2O5/c1-35-23-13-18(14-24(36-2)28(23)37-3)20-15-21-26(27-25(20)19-11-7-8-12-22(19)31-27)30(34)32(29(21)33)16-17-9-5-4-6-10-17/h4-15,31H,16H2,1-3H3
InChIKeySJGOTPFYMWXPML-UHFFFAOYSA-N
XLogP5.81
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.53
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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(3aR,5R,10bR)-2-benzyl-5-(3,4,5-trimethoxyphenyl)-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione
CID 46933445
11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one
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2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one
CID 15424155
2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione
CID 101075412
lithium;alumane;hydride;14-hydroxy-13-[(4-methoxyphenyl)methyl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one;13-[(4-methoxyphenyl)methyl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 161439921
N-benzyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-phenyl-5H-pyrido[4,3-b]indole-1-carboxamide
CID 175532079
2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 71546977
3-(3,4-dihydroxycyclopentyl)-13-[(4-methoxyphenyl)methyl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 22985456
14,15-dimethoxy-10-[(4-methoxyphenyl)methyl]-6-phenylmethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
CID 10505727
4-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5,6,7-trimethoxychromen-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione?
The IUPAC name of 2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione (CID 46933903) is 2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione.
What is the SMILES notation for 2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione?
The canonical SMILES for 2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione is COc1cc(-c2cc3c(c4[nH]c5ccccc5c24)C(=O)N(Cc2ccccc2)C3=O)cc(OC)c1OC.
What is the InChIKey of 2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione?
The InChIKey is SJGOTPFYMWXPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5/c1-35-23-13-18(14-24(36-2)28(23)37-3)20-15-21-26(27-25(20)19-11-7-8-12-22(19)31-27)30(34)32(29(21)33)16-17-9-5-4-6-10-17/h4-15,31H,16H2,1-3H3.
What are the key properties of 2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione?
2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione has a molecular weight of 492.53 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(3,4,5-trimethoxyphenyl)-10H-pyrrolo[3,4-a]carbazole-1,3-dione is sourced from PubChem (CID 46933903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).