9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole

C34H35N3 — CID 72548879

IUPAC9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole
SMILESCCn1c2ccccc2c2cc(CN3CCN(C4c5ccccc5CCc5ccccc54)CC3)ccc21
InChIInChI=1S/C34H35N3/c1-2-37-32-14-8-7-13-30(32)31-23-25(15-18-33(31)37)24-35-19-21-36(22-20-35)34-28-11-5-3-9-26(28)16-17-27-10-4-6-12-29(27)34/h3-15,18,23,34H,2,16-17,19-22,24H2,1H3
InChIKeyHAMBSKANHUHUTJ-UHFFFAOYSA-N
MW485.68 g/mol
LogP6.82
Rot. Bonds4

About 9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole

9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole (PubChem CID 72548879) has the molecular formula C34H35N3 and a molecular weight of 485.68 g/mol. Its IUPAC name is 9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole
PubChem CID72548879
Molecular FormulaC34H35N3
Molecular Weight485.68 g/mol
Exact Mass485.28
IUPAC Name9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole
SMILESCCn1c2ccccc2c2cc(CN3CCN(C4c5ccccc5CCc5ccccc54)CC3)ccc21
InChIInChI=1S/C34H35N3/c1-2-37-32-14-8-7-13-30(32)31-23-25(15-18-33(31)37)24-35-19-21-36(22-20-35)34-28-11-5-3-9-26(28)16-17-27-10-4-6-12-29(27)34/h3-15,18,23,34H,2,16-17,19-22,24H2,1H3
InChIKeyHAMBSKANHUHUTJ-UHFFFAOYSA-N
XLogP6.82
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.68
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
CID 2058524
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;dihydrochloride
CID 75531489
9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid
CID 163326617
N,N-diethyl-4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]aniline
CID 72549578
9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
CID 2845430
3-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-9-ethylcarbazole
CID 1378344
9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366921
1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-ol
CID 57400177
4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 17366841
methyl 3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]benzoate
CID 89474829
4-[[1-[(9-ethylcarbazol-3-yl)methyl]piperidin-4-ylidene]methyl]benzoic acid
CID 59506617

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole?
The IUPAC name of 9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole (CID 72548879) is 9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole?
The canonical SMILES for 9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole is CCn1c2ccccc2c2cc(CN3CCN(C4c5ccccc5CCc5ccccc54)CC3)ccc21.
What is the InChIKey of 9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole?
The InChIKey is HAMBSKANHUHUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3/c1-2-37-32-14-8-7-13-30(32)31-23-25(15-18-33(31)37)24-35-19-21-36(22-20-35)34-28-11-5-3-9-26(28)16-17-27-10-4-6-12-29(27)34/h3-15,18,23,34H,2,16-17,19-22,24H2,1H3.
What are the key properties of 9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole?
9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole has a molecular weight of 485.68 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]carbazole is sourced from PubChem (CID 72548879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).