[3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone

C50H34N4O4 — CID 70693044

IUPAC[3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone
SMILESNC1=C(C(=O)c2c[nH]c3ccccc23)C(c2ccc(C3C(C(=O)c4c[nH]c5ccccc45)=C(N)Oc4ccc5ccccc5c43)cc2)c2c(ccc3ccccc23)O1
InChIInChI=1S/C50H34N4O4/c51-49-45(47(55)35-25-53-37-15-7-5-13-33(35)37)41(43-31-11-3-1-9-27(31)21-23-39(43)57-49)29-17-19-30(20-18-29)42-44-32-12-4-2-10-28(32)22-24-40(44)58-50(52)46(42)48(56)36-26-54-38-16-8-6-14-34(36)38/h1-26,41-42,53-54H,51-52H2
InChIKeyPZVFXQPYQNOPBX-UHFFFAOYSA-N
MW754.85 g/mol
LogP10.11
Rot. Bonds6

About [3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone

[3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone (PubChem CID 70693044) has the molecular formula C50H34N4O4 and a molecular weight of 754.85 g/mol. Its IUPAC name is [3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone
PubChem CID70693044
Molecular FormulaC50H34N4O4
Molecular Weight754.85 g/mol
Exact Mass754.26
IUPAC Name[3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone
SMILESNC1=C(C(=O)c2c[nH]c3ccccc23)C(c2ccc(C3C(C(=O)c4c[nH]c5ccccc45)=C(N)Oc4ccc5ccccc5c43)cc2)c2c(ccc3ccccc23)O1
InChIInChI=1S/C50H34N4O4/c51-49-45(47(55)35-25-53-37-15-7-5-13-33(35)37)41(43-31-11-3-1-9-27(31)21-23-39(43)57-49)29-17-19-30(20-18-29)42-44-32-12-4-2-10-28(32)22-24-40(44)58-50(52)46(42)48(56)36-26-54-38-16-8-6-14-34(36)38/h1-26,41-42,53-54H,51-52H2
InChIKeyPZVFXQPYQNOPBX-UHFFFAOYSA-N
XLogP10.11
TPSA136.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.85
LogP ≤ 510.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone (CID 70693044) is [3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone is NC1=C(C(=O)c2c[nH]c3ccccc23)C(c2ccc(C3C(C(=O)c4c[nH]c5ccccc45)=C(N)Oc4ccc5ccccc5c43)cc2)c2c(ccc3ccccc23)O1.
What is the InChIKey of [3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone?
The InChIKey is PZVFXQPYQNOPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4O4/c51-49-45(47(55)35-25-53-37-15-7-5-13-33(35)37)41(43-31-11-3-1-9-27(31)21-23-39(43)57-49)29-17-19-30(20-18-29)42-44-32-12-4-2-10-28(32)22-24-40(44)58-50(52)46(42)48(56)36-26-54-38-16-8-6-14-34(36)38/h1-26,41-42,53-54H,51-52H2.
What are the key properties of [3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone?
[3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone has a molecular weight of 754.85 g/mol, XLogP of 10.11, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-[4-[3-amino-2-(1H-indole-3-carbonyl)-1H-benzo[f]chromen-1-yl]phenyl]-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 70693044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).