5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole

C44H42N4O — CID 123521716

IUPAC5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole
SMILESCn1cc(C2Nc3ccc(-c4ccc(COc5cccc6c(C7Nc8ccccc8C7(C)C)c[nH]c56)cc4)cc3C2(C)C)c2ccccc21
InChIInChI=1S/C44H42N4O/c1-43(2)34-13-7-8-14-36(34)46-41(43)32-24-45-40-31(32)12-10-16-39(40)49-26-27-17-19-28(20-18-27)29-21-22-37-35(23-29)44(3,4)42(47-37)33-25-48(5)38-15-9-6-11-30(33)38/h6-25,41-42,45-47H,26H2,1-5H3
InChIKeyQVVHCPLYZFXKTR-UHFFFAOYSA-N
MW642.85 g/mol
LogP10.79
Rot. Bonds6

About 5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole

5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole (PubChem CID 123521716) has the molecular formula C44H42N4O and a molecular weight of 642.85 g/mol. Its IUPAC name is 5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole.

Molecular Properties

Compound Name5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole
PubChem CID123521716
Molecular FormulaC44H42N4O
Molecular Weight642.85 g/mol
Exact Mass642.34
IUPAC Name5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole
SMILESCn1cc(C2Nc3ccc(-c4ccc(COc5cccc6c(C7Nc8ccccc8C7(C)C)c[nH]c56)cc4)cc3C2(C)C)c2ccccc21
InChIInChI=1S/C44H42N4O/c1-43(2)34-13-7-8-14-36(34)46-41(43)32-24-45-40-31(32)12-10-16-39(40)49-26-27-17-19-28(20-18-27)29-21-22-37-35(23-29)44(3,4)42(47-37)33-25-48(5)38-15-9-6-11-30(33)38/h6-25,41-42,45-47H,26H2,1-5H3
InChIKeyQVVHCPLYZFXKTR-UHFFFAOYSA-N
XLogP10.79
TPSA54.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 510.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole with MolForge

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Related Compounds

1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-methylcarbazole
CID 375158
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-[2-methyl-1-(1-methylpyrrol-2-yl)propan-2-yl]-1,3-dihydroindol-2-one
CID 44412973
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-[2-methyl-1-(1H-pyrrol-3-yl)propan-2-yl]-1,3-dihydroindol-2-one
CID 44412996
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
CID 44412997
Chrestfoline C
CID 375157
5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole
CID 14138123
3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 57326686
3-[[4-[bis(5-methoxy-1H-indol-3-yl)methyl]phenyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 57326788
3-[[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035273
3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035571
3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole
CID 127035684
2-[3-[bis(1H-indol-3-yl)methyl]phenoxy]aniline
CID 171348811

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole?
The IUPAC name of 5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole (CID 123521716) is 5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole.
What is the SMILES notation for 5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole?
The canonical SMILES for 5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole is Cn1cc(C2Nc3ccc(-c4ccc(COc5cccc6c(C7Nc8ccccc8C7(C)C)c[nH]c56)cc4)cc3C2(C)C)c2ccccc21.
What is the InChIKey of 5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole?
The InChIKey is QVVHCPLYZFXKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N4O/c1-43(2)34-13-7-8-14-36(34)46-41(43)32-24-45-40-31(32)12-10-16-39(40)49-26-27-17-19-28(20-18-27)29-21-22-37-35(23-29)44(3,4)42(47-37)33-25-48(5)38-15-9-6-11-30(33)38/h6-25,41-42,45-47H,26H2,1-5H3.
What are the key properties of 5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole?
5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole has a molecular weight of 642.85 g/mol, XLogP of 10.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indol-7-yl]oxymethyl]phenyl]-3,3-dimethyl-2-(1-methylindol-3-yl)-1,2-dihydroindole is sourced from PubChem (CID 123521716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).