5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole

C37H37N3O2 — CID 170945956

IUPAC5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole
SMILESCc1c2cnccc2c(C)c2c1c1cc(OCc3ccccc3)ccc1n2Cc1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C37H37N3O2/c1-26-34-23-38-17-16-32(34)27(2)37-36(26)33-22-31(42-25-29-8-4-3-5-9-29)14-15-35(33)40(37)24-28-10-12-30(13-11-28)41-21-20-39-18-6-7-19-39/h3-5,8-17,22-23H,6-7,18-21,24-25H2,1-2H3
InChIKeyGAVDWJNANWDTRI-UHFFFAOYSA-N
MW555.72 g/mol
LogP8.06
Rot. Bonds9

About 5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole

5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole (PubChem CID 170945956) has the molecular formula C37H37N3O2 and a molecular weight of 555.72 g/mol. Its IUPAC name is 5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole.

Molecular Properties

Compound Name5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole
PubChem CID170945956
Molecular FormulaC37H37N3O2
Molecular Weight555.72 g/mol
Exact Mass555.29
IUPAC Name5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole
SMILESCc1c2cnccc2c(C)c2c1c1cc(OCc3ccccc3)ccc1n2Cc1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C37H37N3O2/c1-26-34-23-38-17-16-32(34)27(2)37-36(26)33-22-31(42-25-29-8-4-3-5-9-29)14-15-35(33)40(37)24-28-10-12-30(13-11-28)41-21-20-39-18-6-7-19-39/h3-5,8-17,22-23H,6-7,18-21,24-25H2,1-2H3
InChIKeyGAVDWJNANWDTRI-UHFFFAOYSA-N
XLogP8.06
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.72
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole with MolForge

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Related Compounds

1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole;(Z)-but-2-enedioic acid
CID 71502610
9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole
CID 162754930
3-methyl-2-(4-phenylmethoxyphenyl)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol
CID 20747240
1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole
CID 10168648
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(3-fluoro-4-phenylmethoxyphenyl)-3-methylindole
CID 90967728
4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol
CID 58899419
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole
CID 139899858
methyl (2S,3R,4S,5R,6S)-4,5-diacetyl-3-acetyloxy-6-[4-[1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenoxy]-4,5-dihydroxyoxane-2-carboxylate
CID 86586010
9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole
CID 155678411
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-(2-methoxyethoxymethoxy)-2-[4-(2-methoxyethoxymethoxy)phenyl]-3-methylindole
CID 153406433
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)phenyl]-3-methylindole
CID 153406432
4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
CID 174448613

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole?
The IUPAC name of 5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole (CID 170945956) is 5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole.
What is the SMILES notation for 5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole?
The canonical SMILES for 5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole is Cc1c2cnccc2c(C)c2c1c1cc(OCc3ccccc3)ccc1n2Cc1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole?
The InChIKey is GAVDWJNANWDTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N3O2/c1-26-34-23-38-17-16-32(34)27(2)37-36(26)33-22-31(42-25-29-8-4-3-5-9-29)14-15-35(33)40(37)24-28-10-12-30(13-11-28)41-21-20-39-18-6-7-19-39/h3-5,8-17,22-23H,6-7,18-21,24-25H2,1-2H3.
What are the key properties of 5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole?
5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole has a molecular weight of 555.72 g/mol, XLogP of 8.06, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole is sourced from PubChem (CID 170945956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).